SCHEMBL7220355

SCHEMBL7220355

CN1CCN(CCC#CC(=O)Nc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.84
ERBB2 P04626 15/20 0.84
ERBB4 Q15303 15/20 0.84
JAK3 P52333 1/20 0.58

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
SCHEMBL7216617 0.91 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL7214608 0.87 EGFR (0.91) EGFRERBB2ERBB4
SCHEMBL7221038 0.86 EGFR (0.90) EGFRERBB2ERBB4
SCHEMBL7216107 0.85 EGFR (0.75) EGFRERBB2ERBB4
SCHEMBL7213879 0.84 EGFR (0.84) EGFRERBB2ERBB4
SCHEMBL7219786 0.84 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL12262268 0.84 EGFR (0.68) EGFRERBB2ERBB4JAK3
SCHEMBL7220498 0.83 EGFR (0.79) EGFRERBB2ERBB4
SCHEMBL18387772 0.83 EGFR (0.74) EGFRERBB2ERBB4JAK3
SCHEMBL7220082 0.82 EGFR (0.78) 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 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