SCHEMBL5486292

SCHEMBL5486292

Cc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)CN(CCCl)C(N)=O)c34)cc2C)cn1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.68
EGFR P00533 8/20 0.68
KCNH2 Q12809 5/20 0.68
ERBB3 P21860 1/20 0.47
ERBB4 Q15303 1/20 0.47
FECH P22830 1/20 0.43
CDK8 P49336 1/20 0.43
MAP2K5 Q13163 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL4485841 0.86 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4487725 0.86 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4469496 0.85 ERBB2 (0.73) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5566582 0.84 ERBB2 (0.82) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5566561 0.84 ERBB2 (0.82) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4474476 0.84 ERBB2 (0.75) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4469124 0.84 ERBB2 (0.75) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4478475 0.84 ERBB2 (0.72) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL4469221 0.83 ERBB2 (0.71) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5637744 0.83 ERBB2 (0.87) ERBB2EGFRKCNH2ERBB3ERBB4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511491-A 2007-05-10 JP claimed
EP-1685116-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-08-02 EP claimed
WO-2005051923-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-09 WO claimed
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