SCHEMBL5699141

SCHEMBL5699141

CC(CNC(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.76
EGFR P00533 9/20 0.76
KCNH2 Q12809 6/20 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
SCHEMBL4476106 1.00 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL4479957 1.00 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL4471019 0.93 ERBB2 (0.75) ERBB2EGFRKCNH2
SCHEMBL4477103 0.93 ERBB2 (0.73) ERBB2EGFRKCNH2
SCHEMBL4471971 0.93 ERBB2 (0.73) ERBB2EGFRKCNH2
SCHEMBL4476994 0.92 ERBB2 (0.77) ERBB2EGFRKCNH2
SCHEMBL4476531 0.92 ERBB2 (0.77) ERBB2EGFRKCNH2
SCHEMBL4474104 0.92 ERBB2 (0.75) ERBB2EGFRKCNH2
SCHEMBL4480925 0.92 ERBB2 (0.75) ERBB2EGFRKCNH2
SCHEMBL4482589 0.92 ERBB2 (0.64) ERBB2EGFRKCNH2

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-1685116-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-08-02 EP disclosed
WO-2005051923-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-09 WO disclosed