SCHEMBL7216107

SCHEMBL7216107

CN1CCN(CCC#CC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.75
▸ ERBB2 P04626 18/20 0.75
▸ ERBB4 Q15303 2/20 0.69
▸ ABCG2 Q9UNQ0 1/20 0.69

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
SCHEMBL30115364 0.93 EGFR (0.88) EGFRERBB2ERBB4ABCG2
SCHEMBL7214801 0.91 EGFR (0.85) EGFRERBB2ERBB4ABCG2
SCHEMBL7216160 0.89 EGFR (0.78) EGFRERBB2ERBB4
SCHEMBL7214671 0.86 EGFR (0.82) EGFRERBB2ERBB4ABCG2
SCHEMBL30115316 0.86 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL7216113 0.86 EGFR (0.81) EGFRERBB2ERBB4ABCG2
SCHEMBL7220355 0.85 EGFR (0.84) EGFRERBB2ERBB4
SCHEMBL7220947 0.84 EGFR (0.83) EGFRERBB2ERBB4ABCG2
SCHEMBL7220501 0.84 EGFR (0.71) EGFRERBB2ERBB4ABCG2
SCHEMBL30115314 0.83 EGFR (1.00) EGFRERBB2ERBB4ABCG2

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
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