SCHEMBL13625771

SCHEMBL13625771

Bc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(-c5ccccc5)c34)cc2)c1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.85
AURKB Q96GD4 8/20 0.70

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
SCHEMBL735226 0.92 AURKA (1.00) AURKAAURKB
SCHEMBL758931 0.90 AURKA (0.85) AURKAAURKB
SCHEMBL758933 0.90 AURKA (0.85) AURKAAURKB
SCHEMBL756650 0.90 AURKA (0.85) AURKAAURKB
SCHEMBL759799 0.90 AURKA (0.85) AURKAAURKB
SCHEMBL764021 0.90 AURKA (0.85) AURKAAURKB
SCHEMBL757690 0.90 AURKA (0.85) AURKAAURKB
SCHEMBL759086 0.90 AURKA (0.84) AURKAAURKB
SCHEMBL757348 0.90 AURKA (0.81) AURKAAURKB
SCHEMBL756659 0.89 AURKA (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134658-A2 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 WO disclosed