SCHEMBL4872629

SCHEMBL4872629

COc1ccc(-c2c(-c3cccc(C)n3)nn3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.56
MAPK14 Q16539 4/20 0.56
TGFBR1 P36897 13/20 0.54
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
GSK3B P49841 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.40
ACP1 P24666 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL4873749 0.88 MAPK14 (0.44) THRBMAPK14TGFBR1ADORA2AADORA1
SCHEMBL4862130 0.88 TGFBR1 (0.53) THRBMAPK14TGFBR1EGFRRAF1
SCHEMBL4873701 0.87 AKT1 (0.46) THRBMAPK14TGFBR1EGFRRAF1
SCHEMBL4868119 0.85 MAPK14 (0.60) THRBMAPK14TGFBR1EGFRRAF1
SCHEMBL4865628 0.85 MAPK14 (0.44) THRBMAPK14TGFBR1EGFRRAF1
SCHEMBL4872159 0.85 TGFBR1 (0.55) THRBMAPK14TGFBR1EGFRRAF1
SCHEMBL4865400 0.85 TGFBR1 (0.55) THRBMAPK14TGFBR1EGFRRAF1
SCHEMBL4869284 0.85 MAPT (0.43) THRBMAPK14TGFBR1NPC1RAB9A
SCHEMBL4872673 0.84 JAK2 (0.42) THRBMAPK14TGFBR1EGFRRAF1
SCHEMBL4870968 0.84 MAPK14 (0.57) THRBMAPK14TGFBR1EGFRRAF1

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