SCHEMBL4865280

SCHEMBL4865280

CCc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(OC)c(OC)cc23)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.47
THRB P10828 2/20 0.47
MAPK14 Q16539 2/20 0.47
KDR P35968 3/20 0.35
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL4872310 0.88 TGFBR1 (0.46) TGFBR1THRBMAPK14KDR
SCHEMBL4865643 0.87 TGFBR1 (0.49) TGFBR1THRBMAPK14KDR
SCHEMBL411190 0.86 TGFBR1 (0.62) TGFBR1THRBMAPK14
SCHEMBL4868276 0.85 TGFBR1 (0.53) TGFBR1THRBMAPK14
SCHEMBL16296917 0.81 TGFBR1 (0.49) TGFBR1THRBMAPK14KDR
SCHEMBL4863433 0.76 TGFBR1 (0.58) TGFBR1THRBMAPK14KDR
SCHEMBL412729 0.76 TGFBR1 (0.46) TGFBR1THRBMAPK14
SCHEMBL4870854 0.76 TGFBR1 (0.43) TGFBR1THRBMAPK14
SCHEMBL4872949 0.74 TGFBR1 (0.56) TGFBR1THRBMAPK14KDR
SCHEMBL4864349 0.74 TGFBR1 (0.65) TGFBR1THRBMAPK14KDR

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