SCHEMBL12282273

SCHEMBL12282273

NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4ccc5nonc5c4)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.66
AURKB Q96GD4 2/20 0.58
PLK4 O00444 1/20 0.58
CHEK2 O96017 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
INCENP Q9NQS7 1/20 0.57

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
SCHEMBL12282712 0.81 TTK (0.70) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL2582272 0.81 TTK (0.72) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL2573333 0.80 TTK (1.00) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL2563660 0.78 TTK (1.00) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL2570870 0.78 TTK (1.00) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL2561009 0.75 TTK (0.72) TTKAURKBINCENP
SCHEMBL12282220 0.75 TTK (0.71) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL12282485 0.75 TTK (0.74) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL2569400 0.75 TTK (1.00) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL2569368 0.75 TTK (0.74) TTKAURKBPLK4CHEK2CYP3A4

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-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed