th COMPOUND LIBRARIES 2010...Media Partners Who will you meet? Global heads, directors, senior ... be discussed as part of the presentation. Dr. andy bell, Research Fellow, sandwich

Hear about the pharmaco-chemicalassessment of Abbotts new compoundcollection from Dr. Hein K.A.C. Coolen!

Chairman:Dr. Steffen Renner, Investigator II, Molecular and Library Informatics,

Novartis Pharma AG, SwitzerlandDr. Werngard Czechtizky, Group leader,Sanofi-Aventis Deutschland GmbH, Germany

Conference advisor: A Lead DiscoveryB Screening of natural products librariesC Medicinal Chemistry Research Services: How To Obtain A Solid Track RecordD Accelerating the lead discovery process

Interactive Workshops:

To Register | T +49 (0)30 20 91 33 30 | F +49 (0)30 20 91 33 12 | E [email protected] | Visit www.compound-libraries.com/MM

Ensuring High Quality Compounds – Successful Library Designand Screening – Outsourcing Strategies – Hit to Lead Optimisation

6th International Conference

• Be better prepared for several screening demands by taking more decision criteria and data from previous screens into account

• Ensure high quality leads by viewing the most promising methods of characterizing and detecting compounds

• Hear about new computational approaches for designing and recommending chemical reagents

• Learn about the design of fragment screening libraries and the benefit of the fragment based approach

• Implement efficient compound workflows and data management through external collaborations

14th – 16th September 2010BARCELÓ COLOGNE CITY CENTER

Hear international case studies leadingcompanies and institutions:

• Sanofi-Aventis Deutschland GmbH, Germany • Pfizer Limited, United Kingdom • Abbott Healthcare Products, The Netherlands

• InterMED Discovery GmbH, Germany • Asinex Ltd., Russia

• Karlsruhe Institute of Technology, Germany

• Fondation Recherche sur le Cancer et les Maladies du Sang, Luxembourg • Centre National de la Recherche Scientifique – IMR Laboratory, France

• Endotherm GmbH, Germany • Prestwick Chemical, Inc., France • University of Aberdeen, Scotland, UK • Novartis Institutes for Biomedical Research, Switzerland • AstraZeneca PLC, Sweden • MSD, Merck Research Laboratories, United Kingdom

• Novartis Pharma AG, Switzerland • Janssen Pharmaceutica NV, Belgium • Bayer Schering Pharma AG, Germany

• AnalytiCon Discovery GmbH, Germany

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up to € 290,- if you book

by the 26 th June 2010!

COMPOUNDLIBRARIES 2010

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Media Partners supported bysponsors

Highlights:

Dr. Zoran Rankovic, Associate Director, Medicinal Chemistry,MSD, Merck Research Laboratories,United Kingdom

Dr. Timo Fleßner, Director, Head of Medicinal Chemistry V, Global Drug Discovery,Bayer Schering Pharma AG, Germany

Dr. Andy Bell, Research Fellow, Sandwich Laboratories,Worldwide R&D, Pfizer,United Kingdom

Prof. Dr. Stefan Bräse,Institute of Organic Chemistry,Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany

For further information

please contact Mark Reichmann on:+49 (0)30 20 91 34 28 or [email protected]

Register for our email updates! Get the latest news on our events, additional download possibilities, early bird deadlines and much more! Register now at www.compound-libraries.com/MM

Dear colleague,

High quality compound libraries are the key to increase the efficiency of lead finding. Most companies still haven´t found the optimal library design to save costs and ensure the development of promising leads at the same time. Rough economic times have made competition even harder, so an optimised lead generation is vitally important.

But crucial questions still remain unsolved: How can compound quality be assured and controlled? Which library

design is the most promising? Is focused diversity possible? How to guarantee the best screening outcome

analysis to ensure hit-to-lead optimisation? What are the best outsourcing strategies?These are just some of the questions which will be discussed at

6th International conference

COMPOUND LIBRARIES 201014th – 16th September 2010 I BARCELÓ COLOGNE CITY CENTER

Don’t miss the opportunity to listen to international case studies and discuss new technologies and methods with experts from Sanofi Aventis, Pfizer, Merck, Abbott, Novartis and many more.

Hear about:

• Key factors for a successful natural product library screening• Computational approaches for designing and recommending chemical reagents• Principles and parameters that govern protein-protein recognition (PIP’s)• Scaffold tree analysis of chemical and biological space• High Throughput Screening and Local Environment of Fluorine

We are looking forward to meeting you in Cologne.

Kind Regards,

Anne KlingbeilProject Manager


COMPOUND LIBRARIES 201014th – 16th September 2010 I BARCELÓ COLOGNE CITY CENTER


Media Partners

Who will you meet?

Global heads, directors, seniorscientists and project managers of the following departments:

• Compound Library• Library Design• Combinatorial Chemistry• Medicinal Chemistry• Libraries and Automation• Compound Management• Lead Generation• Computational Chemistry• High Throughput Screening, • Discovery Research• Analytical Science

Sponsors

ASINEX Ltd.20 Geroev Panfilovtzev Str. Bldg 1, 125480 Moscow, RussiaPhone: +7 495 780 3417Fax: +31 (0) 70 3030184Email: [email protected]

PharmaVOICE magazine addresses the challenges and trends impacting the life-sciences industry. PharmaVOICE's subscribers are also kept abreast of the latest trends throughadditional media resources, including WebSeminars, Podcasts, Videocasts, and White Papers. www.pharmavoice.com

www.PharmCast.com is the world leading website designed specifically for pharmaceutical, clinical and biotechnology professionals. www.PharmCast.com brings up-to-date information on pharmaceutical patents, FDA, news, jobs and Buyer's Guide to our visitors. It wascreated and is maintained by pharmaceutical and biotechnology professionals. Visitwww.PharmCast.com and discover for yourself why it is so popular among professionals.www.pharmcast.com

G.I.T. Laboratory Journal Europe reports on all important topics relevant for the European laboratory market. Latest developments in analytics, technology, lab equipment, furniture and lab automation are displayed either in application notes from the chemical, food and pharmaceutical industry or in scientific articles. Bimonthly, G.I.T. Laboratory Journal Europe reaches 27,000 personalised addresses in industrial R&D and scientific institutionsthroughout Europe. www.gitverlag.com

Sponsorship

We have a variety of packagesavailable to suit your requirements. For all Sponsorship and Exhibitionopportunities call Julia Hillebrand: +49 (0)30 20 91 32 75 oremail [email protected]

AnalytiCon Discovery GmbHHermannswerder Haus 1714473 Potsdam, GermanyPhone: +49 (0)331 2300 309 Fax: +49 (0)331 2300 333 Email: [email protected]

Highlight

Highlight


COMPOUND LIBRARIES 2010CONFERENCE DAY ONE | Tuesday, 14th September 2010


9:30 Registration with coffee break & networking

9:55 Chairman´s welcome & opening address Dr. steffen Renner, Investigator II, Molecular and Library Informatics, Novartis Pharma AG, Switzerland

Ensuring High Quality Compounds

10:00 Key factors for a successful natural product library screening • From old to competitive science • How to assure diversity • Logistics and data management • From hit to a natural product as lead Dr. Thomas henkel, Managing Director, InterMed Discovery GmbH, Germany

10:35 ASINEX natural Product-Like Scaffolds as a basis for Protein-Protein Interaction fragments and targeted libraries • Why nature is a gold mine for synthetic chemistry • General analysis of PPI fragments Focus on hydrophilic, saturated, 3D scaffolds that mimick NPs Selection of lipophilic substituents based on the analysis of known PPI inhibitors • Synthesis of novel, NP-like, low MW compounds

Saturated fused ring systems Spiro & bridged scaffolds H-bond acceptor-enriched scaffolds • PPI fragments as a FBDD research tool MW <325 and cLogP 1 - 3 • A PPI targeted library based on PPI fragments MW <475 and cLogP 1.5 - 4 Dr. Dmitry genis, CEo, Asinex Ltd., Russia

11:10 Refreshment break & Networking

11:40 Fragments from Nature • 3-dimensional fragments • Natural product based • High purity & solubility • Inherent synthetic tractability • Fast growing of fragments utilizing established multiple synthetic pathways Dr. Lars ole haustedt, Medicinal Chemistry, Drug Discovery, AnalytiCon Discovery GmbH, Germany

12:15 Natural product inspired and de-novo libraries • Natural Products • Multifunctional Linkers • Cannabinoids • Heterocycles Prof. Dr. stefan bräse, Institute of organic Chemistry Karlsruhe Institute of Technology (KIT) Karlsruhe, Germany

12:50 Network Luncheon & Networking

Successful Library Design and Screening

14:20 Computational approaches for designing and recommending chemical reagents • The use of personalized information in reagent selection • Strategies for designing sets of chemical reagents • Modulating pKa values to obtain desired molecular properties • Generating reagents with different shapes assoc. Prof. Dr. Jonas boström, Computational Chemistry, Lead generation Department, AstraZeneca R&D, Sweden

14:55 From Fragments to Combinatorial Libraries • Encoding combinatorial libraries in fragment spaces • Design of combinatorial libraries with multiple constraints General screening libraries Focused libraries • Application examples Dr. uta Lessel, Principal scientist, Department of Lead generation and optimization support, Boehringer Ingelheim Pharma GmbH & Co. KG, Germany


16:05 Re-Sculpting the Pfizer screening file Ahead of the merger of Pfizer and Wyeth, we set out to define the purpose and make-up of the Pfizer screening file. Our review identified four areas where we could improve the quality of the collection. • Duplication – the identical compounds had been incorporated into the file through previous mergers. • Redundancy – some regions of chemical space were over-populated with very similar analogues. • Structural Attractiveness – many compounds were considered so ugly that they were never considered as starting points for hit to lead programs. • Specialist Structures – Certain regions of chemical space e.g. steroids, macrocycles were being ignored as hits for standard oral programs. Based on this analysis, we established algorithms to segregate the combined Pfizer-Wyeth file into 3 Tiers. The details of the methods and the make-up of the future Pfizer screening file will be discussed as part of the presentation. Dr. andy bell, Research Fellow, sandwich Laboratories, Worldwide R&D, Pfizer, UK

16:40 A Pharmaco-chemical assessment of the corporate stock After the merging of the compound collections of former Solvay Pharmaceuticals and former Laboratoires Fournier, an assessment was made of the pharmaco-chemical quality of the resulting stock. • The different criteria on which this assessment was done will be discussed • For this, computational models were developed which will be explained • The outcome of the analysis was used for enrichment approaches Dr. hein K.a.C. Coolen, senior scientist CaDD, Abbott Healthcare Products BV, The Netherlands

Chemical space for PPI’s and PPI inhibitors development

17:15 An example of challenging chemical space: Protein-Protein Interfaces (PPI’s)

Successes in inhibiting Protein-Protein Interaction (PPI) depend on several constraints such as biophysical parameters (size of the interface), conceptual parameters (existence of ‘reference’ compounds) and chemical parameters (chemical space/specific databases available). One of the main impediments in the drug discovery process targeting this type of interface relates to the absence of specific databases. This obstacle certainly represents an exciting challenge, in the next decade, for the chemo-informatic community. Our group is mainly focusing on the analysis of the basic principles and parameters that govern protein-protein recognition. This fundamental research has permitted us toi) develop innovating protocols allowing PPI inhibitions, such as the 2P2I approach1 andii) to analyze and classify PPI’s to eventually propose focused databases dedicated to this attracting class of targets.This conference will focus on the particular chemical space that represent PPI’s, on the challenge to find original compounds inhibiting such interactions and finally on the possibility to cluster protein-protein interfaces and thus to consequently propose new focusing databases. We will give some insights to these challenging questions:

• Can we define a specific chemical space for PPI’s with known inhibitors? • Can we separate druggable from non druggable PPI’s? • Can we define chemical databases dedicated to PPI’s? • Is the Ro5 a barrier to further PPI inhibitors development? Dr. Xavier Morelli, group Leader in structural biology: group Interactions, Dynamics & Drug Design (ID3), Centre National de la Recherche Scientifique – IMR Laboratory, France

17:50 Closing remarks of the chairman and end of conference day one

The baRCELÓ CoLogNE CITy CENTER invites you to an evening reception. This is an excellent opportunity for you to meet theother attendees and make new business contacts.

CASESTUDY

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COMPOUND LIBRARIES 2010CONFERENCE DAY TWO | Wednesday, 15th September 2010

9:00 Registration with coffee break & networking

9:25 Chairman´s welcome & opening address Dr. Werngard Czechtizky, group leader, Sanofi-Aventis Deutschland GmbH, Germany

High Throughput Screening and scaffold tree analysis

9:30 Scaffold tree analysis of chemical and biological space • Scaffold tree introduction • Analysis of chemical space vs. biological space • Scaffold based identification of hit classes from primary HTS data Dr. steffen Renner, Investigator II, Molecular and Library Informatics, Novartis Pharma AG, Switzerland

10:10 Two decades of High Throughput Screening – Lessons learned and future directions • Evolution of the HTS paradigm • Is the HTS approach delivering? • HTS collection enhancement programmes • Experience of legacy Organon, legacy Schering-Plough and Merck • Current issues and future directions Dr. Zoran Rankovic, associate Director, Medicinal Chemistry, MSD, Merck Research Laboratories, United Kingdom


11:20 Accelerating drug discovery by high throughput medicinal chemistry • Setup / technology of lead generation team at Sanofi-Aventis Frankfurt • Library synthesis • Examples for successful lead generation projects supported by high throughput medicinal chemistry Dr. Werngard Czechtizky, group leader, Sanofi-Aventis Deutschland GmbH, Germany

External Collaborations & Outsourcing Strategies

12:00 Finding the right strategy for a successful compound acquisition • The difference between short and long term investments • How to best tap into external innovation • How to involve the internal brain power of your organization Dr. Peter ten holte, associate head of External Collaborations & outsourcing services, Janssen Pharmaceutica NV

12:40 Network Luncheon & Networking

14:10 Compound library and logistics – Trends at Bayer Schering Pharma • Characteristics of a state-of-the-art multi-million screening library • Interfaces to external partners to further develop the compound library as well as the screening process • Logistical challenges during repository maintenance and capacity increase Dr. Timo Fleßner, Director, head of Medicinal Chemistry V, global Drug Discovery, Bayer Schering Pharma AG, Germany Dr. Jens schamberger, scientist Computational Chemistry, Bayer Schering Pharma AG, Germany

14:50 From libraries to hits to leads • The Bayer HTL process • The Bayer software platform (PIx) • Compute tools and traffic lights • A case study Dr. Johannes Köbberling, senior Research scientist, Bayer Schering Pharma AG, Germany


Fragment based approach

16:00 Design and application of LEF, a library of chemical fragments with different Local Environment of Fluorine

• Novel strategy for the design of a fluorinated fragment library, named LEF• 19F NMR ligand-based screening of LEF and crystal structure determination of the hits.• Fluorophilic protein environments identification and analysis.

Dr. anna Vulpetti, Research Investigator, CaDD, Novartis Institutes for Biomedical Research, Switzerland

16:40 Closing remarks of the chairman and end of conference day two

Workshop B09:00 – 12:00 Screening of natural products libraries

"High content symposium.Lots of possibilites for networking.

Good variety in topics"

Petra blom, Director, asclepia MedChem solutions

CASESTUDY

get free white papers, articles and much more! www.compound-libraries.com/MM

What’s in your download center?

The purpose of the download center is to provide you with relevant content to enhance your knowledge of current trends and industry news.All content is 100% complimentary, easy to download, and current.

Featuring live podcast interviews which you can stream on your computer or portable device, up-to-date news from local and internationalsources, industry whitepapers, and other relevant content – the download centre is your online portal to expand your knowledge and addvalue to your business.

We encourage your feedback and participation, for all comments or enquiries please contact Mark Reichmann on +49 (0) 30 20 91 34 28 or email [email protected].


INTERACTIVE WORKSHOP DAY | Thursday, 16th September 2010

Workshop A09:00 – 12:00 Lead Discovery

The pharmaceutical industry is under ever increasing pressure to improve R&D efficiency and productivity. Since marketed drugs tend to be structurally very similar to the leads from which they originated, the hit to lead process is increasingly seen as acritical, often success-determining stage of the drug discovery. Consequently, great strides have been made within the industry and academia over the recent years to enhance efficiency and quality of the hit to lead trajectory. Packed with case studies and detailed analysis of seminal literature this interactive workshop will explore key aspects of the lead discovery, including:

• Hit to lead process in the context of drug discovery• Outsourcing strategy: how to find a suitable CRO/partner • Hit generation strategies (HTS and non-HTS approaches, e.g. design & evolution of screening libraries; focused- fragment- and cross-screening approaches; scaffold hopping; marketed drugs and natural products as starting points; lead- & drug-like concepts)• Hit selection (define the selection criteria and decision making process; impact of molecular properties, ligand efficiency and biological profiling)• Hit optimisation (assessing risks and addressing deficiencies; importance of multidimensional approach; defining lead criteria – how good is good enough?) • Med. chem. strategies and tips to improve hERG selectivity and ADME properties• Multi-target approaches – designed polypharmacology (strategies and challenges of designing multi-target acting ligands)

Dr. Zoran Rankovic, associate Director, Medicinal Chemistry, MSD, Merck Research Laboratories, United Kingdom

Workshop D13:00 – 16:00 Accelerating the lead discovery process

An efficient A2L process is crucial for early drug discovery. Rapid integrated cycles of (partially) automated synthesis, biological testing, drug design, and high throughput ADMET/selectivity profiling enable shorter A2L timelines.The following topics will be discussed:

Efficient evaluation of HTS data and rapid selection of hit series• Integrated LG teams: HTS biology/A2L chemistry/drug design • Rapid clustering of actives • Timely delivery of early ADMET/selectivity data

H2L medicinal chemistry• Integration of drug design, high throughput medicinal chemistry, and library technology • Efficient use of outsourcing

Common knowledge on lead generation timelines

Dr. Werngard Czechtizky, group Leader, Sanofi-Aventis Deutschland GmbH, GermanyDr. Nils Rackelmann, senior scientist, Sanofi-Aventis Deutschland GmbH

Workshop B09:00 – 12:00 Screening of natural products libraries

A significant number of natural product-derived drugs are being ranked in the top 35 worldwide selling prescription drugs. This workshop will discuss the challenges of HTS of natural product libraries and the preparation of natural product samples. Experts from different institutions and companies will present and discuss the latest developments in the realm and focus for example on marine natural product libraries.

• High-throughput screening and drug discovery• Preparation of natural product samples• Marine natural product libraries• High throughput screening for natural compound inhibitors of cell signalling intermediates

Dr. Marc Diederich, Fondation Recherche sur le Cancer et les Maladies du sang, Laboratoire de Biologie Moleculaire etCellulaire du Cancer (LBMCC), Luxembourg

Dr. Lars Kattner, CEo, ENDOTHERM GmbH, Germany

Dr. Rainer Ebel, Lecturer, Marine biodiscovery Centre, Department of Chemistry, University of Aberdeen, Scotland, UK

Workshop C13:00 – 16:00 Medicinal Chemistry Research Services: How To Obtain A Solid Track Record

This interactive session is dealing with outsourcing library design and chemogenomics profiling. Find out which strategies have proven successful and what can be learned from them. The participants will have the opportunity to discus the following aspects:

• Smart usage of computer-assisted design, in silico profiling • Combine with fail safe traditional optimization approach • Privileged structure concept • Selective optimization of side activities

Prof. Dr. Thierry Langer, CEo, Prestwick Chemical, Inc., France

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Documents

th COMPOUND LIBRARIES 2010...Media Partners Who will you meet? Global heads, directors, senior ... be discussed as part of the presentation. Dr. andy bell, Research Fellow, sandwich