SCHEMBL4180544

SCHEMBL4180544

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

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.71
ERBB2 P04626 17/20 0.71
ERBB4 Q15303 11/20 0.71
JAK3 P52333 4/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL4194333 0.98 EGFR (0.72) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7214980 0.91 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL7219991 0.88 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL4187462 0.86 EGFR (0.75) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL4187737 0.85 EGFR (0.74) EGFRERBB2
SCHEMBL4344439 0.85 EGFR (0.78) EGFRERBB2ERBB4JAK3
SCHEMBL4182379 0.84 EGFR (0.79) EGFRERBB2ERBB4JAK3
SCHEMBL4191758 0.83 EGFR (0.75) EGFRERBB2
SCHEMBL7220739 0.80 EGFR (0.83) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL7220061 0.79 EGFR (0.79) EGFRERBB2ERBB4JAK3MEN1

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 4 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
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US 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