SCHEMBL7214823

SCHEMBL7214823

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

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.68
ERBB2 P04626 10/20 0.68
ERBB4 Q15303 1/20 0.68
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TNK2 Q07912 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59

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
SCHEMBL7216552 0.97 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL7219915 0.96 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL7220947 0.89 EGFR (0.83) EGFRERBB2ERBB4
SCHEMBL7220938 0.85 EGFR (0.81) EGFRERBB2ERBB4
SCHEMBL7214783 0.84 EGFR (0.79) EGFRERBB2ERBB4
SCHEMBL7216160 0.84 EGFR (0.78) EGFRERBB2ERBB4
SCHEMBL7216415 0.83 EGFR (0.84) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL7214037 0.82 EGFR (0.72) EGFRERBB2ERBB4
SCHEMBL7220426 0.82 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL7214043 0.82 EGFR (0.78) 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