SCHEMBL763074

SCHEMBL763074

CN(C)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(I)c23)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.83
AURKB Q96GD4 16/20 0.83

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
SCHEMBL759172 0.92 AURKA (0.84) AURKAAURKB
SCHEMBL764167 0.92 AURKA (0.84) AURKAAURKB
SCHEMBL30634171 0.91 AURKB (1.00) AURKAAURKB
SCHEMBL756739 0.91 AURKB (1.00) AURKAAURKB
SCHEMBL10063835 0.88 AURKA (0.81) AURKAAURKB
SCHEMBL757438 0.83 AURKA (0.85) AURKAAURKB
SCHEMBL763393 0.83 AURKA (0.73) AURKAAURKB
SCHEMBL13399811 0.83 AURKA (0.71) AURKAAURKB
SCHEMBL759931 0.83 AURKA (0.77) AURKAAURKB
SCHEMBL756769 0.82 AURKA (1.00) 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
US-8138194-B2 Fused bicyclic pyrimidine compounds as aurora kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-03-20 US disclosed