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Sugi Predict / Compounds / SCHEMBL4201064

SCHEMBL4201064

SCHEMBL4201064

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

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.72
▸ ERBB2 P04626 14/20 0.72
▸ ERBB4 Q15303 6/20 0.62
▸ AURKB Q96GD4 1/20 0.56

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
SCHEMBL7221059 0.91 EGFR (0.62) EGFRERBB2ERBB4
SCHEMBL7219974 0.90 EGFR (0.61) EGFRERBB2ERBB4
SCHEMBL4187462 0.90 EGFR (0.75) EGFRERBB2ERBB4
SCHEMBL7219991 0.86 EGFR (0.64) EGFRERBB2ERBB4AURKB
SCHEMBL7214980 0.85 EGFR (0.63) EGFRERBB2ERBB4AURKB
SCHEMBL7244518 0.85 EGFR (0.66) EGFRERBB2ERBB4
SCHEMBL7243825 0.84 EGFR (0.65) EGFRERBB2ERBB4
SCHEMBL4187489 0.84 EGFR (1.00) EGFRERBB2
SCHEMBL12340056 0.84 EGFR (0.81) EGFRERBB2
SCHEMBL4183199 0.83 EGFR (0.62) EGFRERBB2ERBB4AURKB

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