SCHEMBL7219974

SCHEMBL7219974

CN(C)CCCNC(=O)C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.61
ERBB2 P04626 12/20 0.61
ERBB4 Q15303 2/20 0.59
JAK3 P52333 1/20 0.57
KDR P35968 1/20 0.56
ERBB3 P21860 1/20 0.56
DUS2 Q9NX74 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 0.96 EGFR (0.62) EGFRERBB2ERBB4JAK3KDR
SCHEMBL4201064 0.90 EGFR (0.72) EGFRERBB2ERBB4
SCHEMBL4187462 0.89 EGFR (0.75) EGFRERBB2ERBB4JAK3
SCHEMBL7216169 0.84 EGFR (0.63) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL1418437 0.80 EGFR (0.64) EGFRERBB2ERBB4JAK3
SCHEMBL1418438 0.80 EGFR (0.64) EGFRERBB2ERBB4JAK3
SCHEMBL1418004 0.80 EGFR (0.65) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL1418007 0.80 EGFR (0.65) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL21251171 0.79 EGFR (0.76) EGFRERBB2ERBB4JAK3ERBB3
SCHEMBL13083349 0.79 EGFR (0.76) EGFRERBB2ERBB4JAK3ERBB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed