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Preferred format:
Desirable size of the custom library selection:
  • Mg
  • uMol

Currently, only one scaffold has been well described as highly potent inhibitors of G9a

- comprehensive SAR is available for these compounds in [Feng Liu et al. Protein Lysine Methyltransferase G9a Inhibitors: Design, Synthesis, and Structure Activity Relationships of 2,4-Diamino-7-aminoalkoxy- quinazolines. J Med Chem. 2010, 53, 5844–5857]
-29 compounds were well characterized and evaluated in R4 vitro
- crystallographic data was obtained for several compounds

Our approach includes:
Current strategy
generate close isosteric analogues with reliable topology
► keep the revealed crucial binding points
► apply 2D-similarity approach toward active compounds
► include the “targeted diversity” set, e.g. tyrosine kinase inhibitors
Further evaluation:
► 3D-molecular docking approach
► 3D-pharmacophore modeling/searching

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