SCHEMBL5740903

SCHEMBL5740903

CCOC(=O)Oc1cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1CC

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.78
ERBB2 P04626 20/20 0.78
ERBB4 Q15303 1/20 0.52

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
SCHEMBL5740882 0.95 EGFR (0.72) EGFRERBB2
SCHEMBL5740455 0.94 ERBB2 (0.79) EGFRERBB2
SCHEMBL5739155 0.90 EGFR (0.79) EGFRERBB2
SCHEMBL1462065 0.88 EGFR (1.00) EGFRERBB2
SCHEMBL466103 0.87 EGFR (0.84) EGFRERBB2ERBB4
SCHEMBL5739460 0.86 ERBB2 (0.72) EGFRERBB2
SCHEMBL1730679 0.85 EGFR (1.00) EGFRERBB2
SCHEMBL1730083 0.84 EGFR (0.88) EGFRERBB2
SCHEMBL1728685 0.84 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL5738836 0.84 EGFR (0.55) EGFRERBB2

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