SCHEMBL5237402

SCHEMBL5237402

Cc1cccc(-c2nn3cc(S(C)(=O)=O)ccc3c2C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
PTGS2 P35354 2/20 0.42
TGFBR1 P36897 11/20 0.40
MAPK14 Q16539 5/20 0.40
KDR P35968 4/20 0.40
RIPK2 O43353 1/20 0.39
PTGS1 P23219 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL5234607 0.86 TGFBR1 (0.43) THRBPTGS2TGFBR1MAPK14KDR
SCHEMBL23389877 0.82 TGFBR1 (0.38) TGFBR1
SCHEMBL5232936 0.82 PTGS2 (0.46) THRBPTGS2TGFBR1MAPK14KDR
SCHEMBL29796672 0.82 TGFBR1 (0.38) TGFBR1
SCHEMBL5229013 0.81 TGFBR1 (0.42) TGFBR1KDM4EMEN1KMT2A
SCHEMBL4864274 0.78 MIF (0.45) TGFBR1MEN1ALDH1A1KMT2A
SCHEMBL4869716 0.77 PTGS2 (0.53) THRBPTGS2TGFBR1MAPK14KDR
SCHEMBL23389792 0.70 TGFBR1 (0.39) TGFBR1MAPK14MEN1KMT2A
SCHEMBL29796646 0.70 TGFBR1 (0.39) TGFBR1MAPK14MEN1KMT2A
SCHEMBL5232777 0.70 TGFBR1 (0.46) TGFBR1KDM4EMEN1ALDH1A1KMT2A

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