SCHEMBL5697131

SCHEMBL5697131

Cc1cc(Nc2ncnc3cccc(OCc4cccn4C(=O)CO)c23)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.45
EGFR P00533 10/20 0.44
KCNH2 Q12809 4/20 0.42

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
SCHEMBL5697288 0.90 ERBB2 (0.51) ERBB2EGFRKCNH2
SCHEMBL4484121 0.79 ERBB2 (0.49) ERBB2EGFRKCNH2
SCHEMBL4391656 0.78 ERBB2 (0.67) ERBB2EGFRKCNH2
SCHEMBL5696820 0.78 ERBB2 (0.67) ERBB2EGFRKCNH2
SCHEMBL4387759 0.78 ERBB2 (0.67) ERBB2EGFRKCNH2
SCHEMBL4396280 0.78 ERBB2 (0.64) ERBB2EGFRKCNH2
SCHEMBL5696875 0.78 ERBB2 (0.64) ERBB2EGFRKCNH2
SCHEMBL4481980 0.77 ERBB2 (0.46) ERBB2EGFRKCNH2
SCHEMBL4476879 0.77 ERBB2 (0.66) ERBB2EGFRKCNH2
SCHEMBL4480016 0.77 EGFR (0.48) 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-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