SCHEMBL13625595

SCHEMBL13625595

O=C(NCCN1CCOCC1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)cc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.77
AURKB Q96GD4 5/20 0.65
EGFR P00533 1/20 0.56
RPS6KB1 P23443 1/20 0.49

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
SCHEMBL759932 0.88 AURKA (0.76) AURKAAURKB
SCHEMBL759305 0.87 AURKA (1.00) AURKAAURKBEGFR
SCHEMBL756748 0.85 AURKA (0.83) AURKAAURKB
SCHEMBL763869 0.85 AURKA (0.83) AURKAAURKB
SCHEMBL757769 0.85 AURKA (1.00) AURKAAURKB
SCHEMBL757342 0.84 AURKA (0.73) AURKAAURKB
SCHEMBL763140 0.83 AURKA (0.60) AURKAAURKB
SCHEMBL759112 0.83 AURKA (0.73) AURKAAURKB
SCHEMBL757597 0.83 AURKA (0.79) AURKAAURKBEGFR
SCHEMBL759897 0.80 AURKA (0.89) AURKAAURKB

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-2276346-B1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (TW) 2016-11-23 EP disclosed
WO-2009134658-A2 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 WO disclosed