SCHEMBL5739612

SCHEMBL5739612

CCOC(=O)Oc1cn2ncnc(Nc3ccc(C)c(NS(C)(=O)=O)c3)c2c1CC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
KDR P35968 4/20 0.50
EGFR P00533 5/20 0.49
ERBB2 P04626 5/20 0.49

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
SCHEMBL4044344 0.86 EGFR (0.66) MAPK14KDREGFRERBB2
SCHEMBL5740197 0.86 KDR (0.66) MAPK14KDREGFRERBB2
SCHEMBL5740337 0.85 KDR (0.54) MAPK14KDREGFRERBB2
SCHEMBL5740421 0.84 KDR (0.52) MAPK14KDREGFR
SCHEMBL27888123 0.84 EGFR (0.56) MAPK14KDREGFRERBB2
SCHEMBL5740274 0.82 EGFR (0.56) MAPK14KDREGFRERBB2
SCHEMBL5739277 0.81 EGFR (0.58) MAPK14KDREGFRERBB2
SCHEMBL5740085 0.81 EGFR (0.62) MAPK14KDREGFRERBB2
SCHEMBL14451947 0.81 MAPK14 (0.51) MAPK14KDREGFR
SCHEMBL5741555 0.81 EGFR (0.59) MAPK14KDREGFRERBB2

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-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed