SCHEMBL4868403

SCHEMBL4868403

CCc1cccc(-c2nn3ccccc3c2-c2ccc(F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.56
EGFR P00533 1/20 0.56
RAF1 P04049 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56
GSK3B P49841 1/20 0.56
TGFBR1 P36897 9/20 0.44
THRB P10828 3/20 0.44
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
PTGS2 P35354 1/20 0.39
AKT1 P31749 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MYC P01106 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4874358 0.91 MAPK14 (0.54) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4871867 0.88 TGFBR1 (0.53) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4865400 0.86 TGFBR1 (0.55) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4868119 0.84 MAPK14 (0.60) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL412283 0.83 MAPK14 (0.53) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4869729 0.82 MAPK14 (0.60) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL412808 0.81 MAPK14 (0.56) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL412858 0.81 MAPK14 (0.56) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4870854 0.81 TGFBR1 (0.43) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4873558 0.78 MAPK14 (0.67) MAPK14EGFRRAF1ADORA3ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US claimed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed