SCHEMBL7214980

SCHEMBL7214980

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

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.63
ERBB2 P04626 11/20 0.63
ERBB4 Q15303 6/20 0.59
AURKB Q96GD4 1/20 0.53

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
SCHEMBL7219991 0.98 EGFR (0.64) EGFRERBB2ERBB4AURKB
SCHEMBL4180544 0.91 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL4194333 0.88 EGFR (0.72) EGFRERBB2ERBB4
SCHEMBL4346100 0.86 EGFR (0.73) EGFRERBB2ERBB4
SCHEMBL4201064 0.85 EGFR (0.72) EGFRERBB2ERBB4AURKB
SCHEMBL4187414 0.84 EGFR (0.68) EGFRERBB2ERBB4AURKB
SCHEMBL4194286 0.83 EGFR (0.74) EGFRERBB2ERBB4
SCHEMBL4185100 0.83 EGFR (0.68) EGFRERBB2ERBB4AURKB
SCHEMBL7220082 0.79 EGFR (0.78) EGFRERBB2ERBB4
SCHEMBL4185060 0.79 EGFR (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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