SCHEMBL4383098

SCHEMBL4383098

O=C(O)N1CCC[C@@H](Oc2cccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)C1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.74
EGFR P00533 12/20 0.74
KCNH2 Q12809 5/20 0.74

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
SCHEMBL4389707 1.00 ERBB2 (0.74) ERBB2EGFRKCNH2
SCHEMBL4391639 0.96 ERBB2 (0.78) ERBB2EGFRKCNH2
SCHEMBL5479906 0.91 ERBB2 (0.70) ERBB2EGFRKCNH2
SCHEMBL5482139 0.91 ERBB2 (0.70) ERBB2EGFRKCNH2
SCHEMBL4384932 0.89 ERBB2 (0.72) ERBB2EGFRKCNH2
SCHEMBL4387752 0.89 ERBB2 (0.72) ERBB2EGFRKCNH2
SCHEMBL4385275 0.89 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL4389886 0.89 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL5697308 0.89 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL4389738 0.87 ERBB2 (0.75) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664029-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed