SCHEMBL5565203

SCHEMBL5565203

Cc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@@H](C)C(=O)N5CCC(O)C5)c34)cc2C)cn1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.78
EGFR P00533 5/20 0.69
KCNH2 Q12809 4/20 0.69
MKNK2 Q9HBH9 2/20 0.51
ERBB3 P21860 1/20 0.47
ERBB4 Q15303 1/20 0.47

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
SCHEMBL5570468 1.00 ERBB2 (0.78) ERBB2EGFRKCNH2MKNK2ERBB3
SCHEMBL5569982 1.00 ERBB2 (0.78) ERBB2EGFRKCNH2MKNK2ERBB3
SCHEMBL5569985 1.00 ERBB2 (0.78) ERBB2EGFRKCNH2MKNK2ERBB3
SCHEMBL5565198 1.00 ERBB2 (0.78) ERBB2EGFRKCNH2MKNK2ERBB3
SCHEMBL5570232 0.96 ERBB2 (0.84) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5566228 0.96 ERBB2 (0.76) ERBB2EGFRKCNH2MKNK2ERBB3
SCHEMBL5569917 0.96 ERBB2 (0.76) ERBB2EGFRKCNH2MKNK2ERBB3
SCHEMBL5566224 0.96 ERBB2 (0.76) ERBB2EGFRKCNH2MKNK2ERBB3
SCHEMBL5568791 0.94 ERBB2 (0.80) ERBB2EGFRKCNH2ERBB3ERBB4
SCHEMBL5568357 0.90 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 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