SCHEMBL4865400

SCHEMBL4865400

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.55
MAPK14 Q16539 3/20 0.41
THRB P10828 2/20 0.41
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
GSK3B P49841 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4868403 0.86 MAPK14 (0.56) TGFBR1MAPK14THRBEGFRRAF1
SCHEMBL4871867 0.86 TGFBR1 (0.53) TGFBR1MAPK14THRBEGFRRAF1
SCHEMBL4872629 0.85 THRB (0.56) TGFBR1MAPK14THRBEGFRRAF1
SCHEMBL4874358 0.78 MAPK14 (0.54) TGFBR1MAPK14THRBEGFRRAF1
SCHEMBL5233087 0.76 TGFBR1 (0.45) TGFBR1MAPK14THRBEGFRRAF1
SCHEMBL412858 0.75 MAPK14 (0.56) TGFBR1MAPK14THRBEGFRRAF1
SCHEMBL4870854 0.75 TGFBR1 (0.43) TGFBR1MAPK14THRBEGFRRAF1
SCHEMBL4865280 0.74 TGFBR1 (0.47) TGFBR1MAPK14THRB
SCHEMBL4873749 0.74 MAPK14 (0.44) TGFBR1MAPK14THRBADORA2AADORA1
SCHEMBL411190 0.73 TGFBR1 (0.62) TGFBR1MAPK14THRB

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