SCHEMBL4872159

SCHEMBL4872159

Cc1cccc(-c2nn3ccccc3c2-c2ccc(O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.55
THRB P10828 5/20 0.55
MAPK14 Q16539 4/20 0.55
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
GSK3B P49841 1/20 0.44
AKT1 P31749 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TGFBR2 P37173 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL4862130 0.90 TGFBR1 (0.53) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4873701 0.90 AKT1 (0.46) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4868119 0.88 MAPK14 (0.60) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4865628 0.88 MAPK14 (0.44) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4870968 0.86 MAPK14 (0.57) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4872629 0.85 THRB (0.56) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4874441 0.85 MAPK14 (0.43) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4871867 0.84 TGFBR1 (0.53) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4867309 0.84 MAPK14 (0.47) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL5235856 0.83 THRB (0.58) TGFBR1THRBMAPK14EGFRRAF1

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