SCHEMBL4187462

SCHEMBL4187462

CN(C)CCCNC(=O)C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 16/20 0.75
ERBB4 Q15303 11/20 0.75
JAK3 P52333 4/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 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
SCHEMBL4201064 0.90 EGFR (0.72) EGFRERBB2ERBB4
SCHEMBL7221059 0.89 EGFR (0.62) EGFRERBB2ERBB4JAK3
SCHEMBL7219974 0.89 EGFR (0.61) EGFRERBB2ERBB4JAK3
SCHEMBL7236177 0.88 EGFR (0.66) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL4194333 0.87 EGFR (0.72) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL4180544 0.86 EGFR (0.71) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL8470435 0.85 EGFR (0.69) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7235412 0.84 EGFR (0.63) EGFRERBB2ERBB4JAK3
SCHEMBL4350856 0.84 EGFR (0.75) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL4194568 0.84 EGFR (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP claimed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP claimed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed