SCHEMBL4183199

SCHEMBL4183199

O=C(C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)NCCCn1ccnc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
ERBB2 P04626 10/20 0.62
ERBB4 Q15303 4/20 0.55
AURKB Q96GD4 1/20 0.51

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
SCHEMBL4350856 0.91 EGFR (0.75) EGFRERBB2ERBB4
SCHEMBL4199597 0.85 EGFR (0.83) EGFRERBB2ERBB4
SCHEMBL4201064 0.83 EGFR (0.72) EGFRERBB2ERBB4AURKB
SCHEMBL7219786 0.82 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL4191508 0.78 EGFR (0.54) EGFRERBB2
SCHEMBL4190264 0.77 EGFR (0.72) EGFRERBB2ERBB4AURKB
SCHEMBL8580434 0.77 EGFR (0.72) EGFRERBB2ERBB4AURKB
SCHEMBL2251606 0.77 EGFR (0.75) EGFRERBB2ERBB4AURKB
SCHEMBL4194453 0.76 EGFR (1.00) EGFRERBB2
SCHEMBL2994028 0.76 EGFR (1.00) 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 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