SCHEMBL371060

SCHEMBL371060

COc1cnc2ccc(C(C)OC3=C(O)C=CN(c4cnn(C)c4)N3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.44
FGFR3 P22607 10/20 0.36
FGFR1 P11362 9/20 0.36
FGFR2 P21802 9/20 0.36
FGFR4 P22455 9/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL371061 0.74 MET (0.44) METFGFR3FGFR1FGFR2FGFR4
SCHEMBL361252 0.72 MET (0.43) METFGFR3FGFR1FGFR2FGFR4
SCHEMBL371227 0.70 MET (0.43) METFGFR3FGFR1FGFR2FGFR4
SCHEMBL13506534 0.70 FGFR2 (0.37) METFGFR3FGFR1FGFR2FGFR4
SCHEMBL10283506 0.65 ALDH1A1 (0.52) METALDH1A1F2GLAHPGD
SCHEMBL19514121 0.65 ALDH1A1 (0.51) METALDH1A1F2GLAHPGD
SCHEMBL371056 0.64 PDE10A (0.41) FGFR3FGFR1FGFR2FGFR4KDR
SCHEMBL10283429 0.64 MET (0.44) MET
SCHEMBL359990 0.64 MET (0.37) METFGFR3FGFR1FGFR2FGFR4
SCHEMBL20616575 0.64 ALDH1A1 (0.54) METALDH1A1F2GLAHPGD

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
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed