SCHEMBL8093512

SCHEMBL8093512

Nc1ccc2ncnc(Nc3cc4cn(Cc5ccccc5)nc4c4ccccc34)c2c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.53
ERBB2 P04626 8/20 0.51

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
SCHEMBL8089915 0.88 ERBB2 (0.53) EGFRERBB2
SCHEMBL7127932 0.83 ERBB2 (0.44) EGFRERBB2
SCHEMBL7120503 0.81 EGFR (0.50) EGFRERBB2
SCHEMBL7127206 0.81 EGFR (0.50) EGFRERBB2
SCHEMBL7119065 0.79 EGFR (0.54) EGFRERBB2
SCHEMBL7128226 0.77 EGFR (0.51) EGFRERBB2
SCHEMBL7120078 0.77 EGFR (0.50) EGFRERBB2
SCHEMBL7119474 0.77 EGFR (0.51) EGFRERBB2
SCHEMBL7126329 0.77 EGFR (0.45) EGFRERBB2
SCHEMBL7122220 0.76 EGFR (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US claimed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed