SCHEMBL5569301

SCHEMBL5569301

NC(=O)CCCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.84
EGFR P00533 10/20 0.73
KCNH2 Q12809 6/20 0.70

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
SCHEMBL5566602 0.91 ERBB2 (1.00) ERBB2EGFRKCNH2
SCHEMBL5699102 0.91 ERBB2 (0.74) ERBB2EGFRKCNH2
SCHEMBL4480976 0.89 ERBB2 (0.79) ERBB2EGFRKCNH2
SCHEMBL4476040 0.89 ERBB2 (0.79) ERBB2EGFRKCNH2
SCHEMBL4474664 0.88 ERBB2 (0.73) ERBB2EGFRKCNH2
SCHEMBL3810028 0.88 ERBB2 (0.81) ERBB2EGFRKCNH2
SCHEMBL5566511 0.87 ERBB2 (0.85) ERBB2EGFRKCNH2
SCHEMBL4485215 0.87 ERBB2 (0.80) ERBB2EGFRKCNH2
SCHEMBL4471089 0.87 ERBB2 (0.73) ERBB2EGFRKCNH2
SCHEMBL5567166 0.86 ERBB2 (0.84) 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-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO disclosed