SCHEMBL4193341

SCHEMBL4193341

O=C(C=CC(F)(F)CCCN1CCOCC1)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.78
ERBB2 P04626 5/20 0.78

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
SCHEMBL4195830 0.98 EGFR (0.77) EGFRERBB2
SCHEMBL4194478 0.91 EGFR (0.73) EGFRERBB2
SCHEMBL4187480 0.88 EGFR (0.72) EGFRERBB2
SCHEMBL4182379 0.86 EGFR (0.79) EGFRERBB2
SCHEMBL7245792 0.86 EGFR (0.64) EGFRERBB2
SCHEMBL7244420 0.84 EGFR (0.63) EGFRERBB2
SCHEMBL4344439 0.84 EGFR (0.78) EGFRERBB2
SCHEMBL4191758 0.84 EGFR (0.75) EGFRERBB2
SCHEMBL4187737 0.84 EGFR (0.74) EGFRERBB2
SCHEMBL7235000 0.83 EGFR (0.56) 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 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