SCHEMBL3910568

SCHEMBL3910568

NC(=O)CCCNCc1cccc(C#Cc2cncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 20/20 0.75

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
SCHEMBL3899327 0.90 EGFR (0.82) EGFRERBB2
SCHEMBL5922891 0.89 EGFR (0.79) EGFRERBB2
SCHEMBL5922718 0.88 EGFR (0.82) EGFRERBB2
SCHEMBL3901034 0.88 EGFR (0.76) EGFRERBB2
SCHEMBL5922704 0.88 EGFR (0.76) EGFRERBB2
SCHEMBL5922788 0.86 EGFR (0.70) EGFRERBB2
SCHEMBL5922629 0.86 EGFR (0.83) EGFRERBB2
SCHEMBL3964814 0.86 EGFR (1.00) EGFRERBB2
SCHEMBL3897471 0.86 EGFR (1.00) EGFRERBB2
SCHEMBL5922692 0.86 EGFR (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654251-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-03-11 EP disclosed
EP-1654251-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005016914-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed