SCHEMBL5229013

SCHEMBL5229013

Cc1cccc(-c2nn3cc(-c4ccccc4)ccc3c2C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.42
DHODH Q02127 2/20 0.40
GRM5 P41594 1/20 0.39
TGFBR2 P37173 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5232777 0.87 TGFBR1 (0.46) TGFBR1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23389877 0.84 TGFBR1 (0.38) TGFBR1
SCHEMBL29796672 0.84 TGFBR1 (0.38) TGFBR1
SCHEMBL4864274 0.83 MIF (0.45) TGFBR1GRM5TGFBR2MEN1KMT2A
SCHEMBL5230843 0.81 KDM4E (0.40) TGFBR1KDM4EMEN1USP2MAPK1
SCHEMBL5237402 0.81 THRB (0.43) TGFBR1KDM4EMEN1KMT2A
SCHEMBL4874607 0.78 TGFBR1 (0.52) TGFBR1
SCHEMBL5231066 0.75 TGFBR1 (0.41) TGFBR1DHODHGRM5TGFBR2MEN1
SCHEMBL3271808 0.73 MIF (0.45) TGFBR1TGFBR2MEN1KMT2A
SCHEMBL29796646 0.72 TGFBR1 (0.39) TGFBR1GRM5MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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