SCHEMBL17538542

SCHEMBL17538542

CCOCCOc1cc2ncnc(Nc3cccc(C)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 5/20 0.68
▸ EGFR P00533 14/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.53

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
SCHEMBL19026906 0.88 FBP1 (0.65) FBP1EGFRABCG2
SCHEMBL8088219 0.85 EGFR (0.79) FBP1EGFRABCG2
SCHEMBL17538564 0.83 EGFR (0.64) FBP1EGFR
SCHEMBL2985878 0.81 EGFR (0.68) FBP1EGFR
SCHEMBL4968744 0.80 FBP1 (0.58) FBP1EGFRABCG2
SCHEMBL4967436 0.80 FBP1 (0.58) FBP1EGFRABCG2
SCHEMBL5115038 0.80 FBP1 (0.74) FBP1EGFRABCG2
SCHEMBL4966928 0.80 FBP1 (0.74) FBP1EGFRABCG2
SCHEMBL4967428 0.80 FBP1 (0.74) FBP1EGFRABCG2
SCHEMBL4968762 0.80 FBP1 (0.74) FBP1EGFRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016023217-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 安润医药科技(苏州)有限公司 2016-02-18 — — WO disclosed
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