SCHEMBL7216113

SCHEMBL7216113

O=C(C#CCCCCN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.81
ERBB2 P04626 14/20 0.81
ERBB4 Q15303 2/20 0.66
ABCG2 Q9UNQ0 1/20 0.62

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
SCHEMBL7214671 0.98 EGFR (0.82) EGFRERBB2ERBB4ABCG2
SCHEMBL7214801 0.94 EGFR (0.85) EGFRERBB2ERBB4ABCG2
SCHEMBL7214038 0.90 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL30115350 0.90 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL7214037 0.88 EGFR (0.72) EGFRERBB2ERBB4
SCHEMBL7216107 0.86 EGFR (0.75) EGFRERBB2ERBB4ABCG2
SCHEMBL7237483 0.85 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL7221038 0.85 EGFR (0.90) EGFRERBB2ERBB4
SCHEMBL7214043 0.84 EGFR (0.78) EGFRERBB2ERBB4
SCHEMBL7127850 0.84 EGFR (0.64) EGFRERBB2ERBB4

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-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed