SCHEMBL6099604

SCHEMBL6099604

COC(=O)c1ccn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.73
ERBB2 P04626 20/20 0.73

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
SCHEMBL4043127 0.90 EGFR (0.88) EGFRERBB2
SCHEMBL1730083 0.88 EGFR (0.88) EGFRERBB2
SCHEMBL4047226 0.84 ERBB2 (0.85) EGFRERBB2
SCHEMBL27561492 0.83 EGFR (0.83) EGFRERBB2
SCHEMBL1462065 0.82 EGFR (1.00) EGFRERBB2
SCHEMBL1730679 0.82 EGFR (1.00) EGFRERBB2
SCHEMBL4049084 0.81 EGFR (0.90) EGFRERBB2
SCHEMBL27871859 0.81 EGFR (0.83) EGFRERBB2
SCHEMBL15712478 0.81 ERBB2 (0.58) EGFRERBB2
SCHEMBL27888132 0.81 EGFR (0.86) 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
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed