SCHEMBL5699208

SCHEMBL5699208

CNCC(=O)N(C)C[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.86
EGFR P00533 9/20 0.86
KCNH2 Q12809 7/20 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
SCHEMBL4476802 0.93 ERBB2 (1.00) ERBB2EGFRKCNH2
SCHEMBL4470280 0.93 ERBB2 (1.00) ERBB2EGFRKCNH2
SCHEMBL4485153 0.92 ERBB2 (0.88) ERBB2EGFRKCNH2
SCHEMBL4468699 0.92 ERBB2 (0.87) ERBB2EGFRKCNH2
SCHEMBL5699185 0.92 ERBB2 (0.87) ERBB2EGFRKCNH2
SCHEMBL4471157 0.92 ERBB2 (0.87) ERBB2EGFRKCNH2
SCHEMBL4472938 0.91 ERBB2 (0.86) ERBB2EGFRKCNH2
SCHEMBL5699184 0.91 ERBB2 (0.86) ERBB2EGFRKCNH2
SCHEMBL4473911 0.91 ERBB2 (0.86) ERBB2EGFRKCNH2
SCHEMBL5481842 0.91 ERBB2 (0.85) 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