SCHEMBL8096166

SCHEMBL8096166

Nc1ccc2ncnc(Nc3ccc4nn(Cc5ccccc5)nc4c3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.62
ERBB2 P04626 8/20 0.56

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
SCHEMBL8555957 0.83 ERBB2 (0.71) EGFRERBB2
SCHEMBL8093486 0.81 EGFR (0.57) EGFRERBB2
SCHEMBL8081967 0.80 EGFR (0.58) EGFRERBB2
SCHEMBL9910666 0.79 EGFR (0.66) EGFRERBB2
SCHEMBL9910675 0.79 EGFR (0.84) EGFRERBB2
SCHEMBL29690398 0.78 EGFR (1.00) EGFRERBB2
SCHEMBL30513 0.78 EGFR (1.00) EGFRERBB2
SCHEMBL7243965 0.76 EGFR (0.79) EGFRERBB2
Hydrochloric Acid SCHEMBL7243031 0.75 EGFR (0.77) EGFRERBB2
SCHEMBL27680332 0.75 EGFR (0.68) 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