SCHEMBL4874607

SCHEMBL4874607

Cc1cccc(-c2nn3cc(-c4ccccc4)ccc3c2-c2ccc(F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.52
THRB P10828 5/20 0.52
MAPK14 Q16539 10/20 0.48
CSNK1A1 P48729 2/20 0.48
CSNK1D P48730 2/20 0.48
CSNK1E P49674 1/20 0.48
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
GSK3B P49841 1/20 0.42
ALDH1A3 P47895 1/20 0.40

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
SCHEMBL4873313 0.84 TGFBR1 (0.51) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL4868119 0.84 MAPK14 (0.60) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL414625 0.83 TGFBR1 (0.49) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL4869716 0.82 PTGS2 (0.53) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL5230843 0.81 KDM4E (0.40) TGFBR1THRBMAPK14
SCHEMBL4873701 0.79 AKT1 (0.46) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4865446 0.78 TGFBR1 (0.53) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL5229013 0.78 TGFBR1 (0.42) TGFBR1
SCHEMBL4872814 0.78 MAPK14 (0.45) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL409352 0.77 TGFBR1 (0.43) TGFBR1THRBMAPK14CSNK1A1CSNK1D

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