SCHEMBL4873746

SCHEMBL4873746

Cc1cccc(-c2nn3ccccc3c2-c2ccc(F)c(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.47
THRB P10828 4/20 0.47
MAPK14 Q16539 3/20 0.42
EGFR P00533 2/20 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
TGFBR2 P37173 4/20 0.38
PDE4B Q07343 1/20 0.37
MAP3K20 Q9NYL2 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
SCHEMBL4865390 0.86 TGFBR1 (0.46) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4867341 0.84 TGFBR1 (0.47) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4872814 0.84 MAPK14 (0.45) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4868119 0.84 MAPK14 (0.60) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4867464 0.83 MAPK14 (0.46) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4862130 0.81 TGFBR1 (0.53) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4873701 0.81 AKT1 (0.46) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4868590 0.80 TGFBR1 (0.43) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4872159 0.79 TGFBR1 (0.55) TGFBR1THRBMAPK14EGFRRAF1
SCHEMBL4865628 0.79 MAPK14 (0.44) 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