SCHEMBL4187480

SCHEMBL4187480

O=C(C=CC(F)(F)CCCCN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.72
ERBB2 P04626 10/20 0.72

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
SCHEMBL4194478 0.98 EGFR (0.73) EGFRERBB2
SCHEMBL4195830 0.91 EGFR (0.77) EGFRERBB2
SCHEMBL4193341 0.88 EGFR (0.78) EGFRERBB2
SCHEMBL4187414 0.87 EGFR (0.68) EGFRERBB2
SCHEMBL7234306 0.86 EGFR (0.58) EGFRERBB2
SCHEMBL7129019 0.86 EGFR (0.52) EGFRERBB2
SCHEMBL7125395 0.85 EGFR (0.59) EGFRERBB2
SCHEMBL7124289 0.85 EGFR (0.52) EGFRERBB2
SCHEMBL4185100 0.85 EGFR (0.68) EGFRERBB2
SCHEMBL7233932 0.84 EGFR (0.61) 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