SCHEMBL7216552

SCHEMBL7216552

CN(C)CCCC#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.70
ERBB2 P04626 9/20 0.70
ERBB4 Q15303 2/20 0.66

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
SCHEMBL7219915 0.97 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL7214823 0.97 EGFR (0.68) EGFRERBB2ERBB4
SCHEMBL7220938 0.89 EGFR (0.81) EGFRERBB2ERBB4
SCHEMBL7214783 0.86 EGFR (0.79) EGFRERBB2ERBB4
SCHEMBL7220947 0.85 EGFR (0.83) EGFRERBB2ERBB4
SCHEMBL7220753 0.83 EGFR (0.84) EGFRERBB2ERBB4
SCHEMBL7216160 0.83 EGFR (0.78) EGFRERBB2ERBB4
SCHEMBL4194568 0.82 EGFR (1.00) EGFRERBB2
SCHEMBL7214037 0.82 EGFR (0.72) EGFRERBB2ERBB4
SCHEMBL7214038 0.82 EGFR (0.71) 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 2 patents. 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 claimed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed