SCHEMBL12282143

SCHEMBL12282143

NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)CCc4ccccc4)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 18/20 1.00
AURKB Q96GD4 3/20 0.64
AURKA O14965 2/20 0.64
PLK4 O00444 1/20 0.63
CHEK2 O96017 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63

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
SCHEMBL2569400 0.90 TTK (1.00) TTKAURKBAURKAPLK4CHEK2
SCHEMBL12281007 0.85 TTK (0.79) TTKAURKBAURKAPLK4CHEK2
SCHEMBL2563660 0.84 TTK (1.00) TTKAURKBAURKAPLK4CHEK2
SCHEMBL12282318 0.84 TTK (1.00) TTKAURKBAURKAPLK4CHEK2
SCHEMBL2567560 0.83 TTK (0.83) TTKAURKBAURKAPLK4CHEK2
SCHEMBL12284538 0.82 TTK (0.84) TTKAURKBAURKAPLK4CHEK2
SCHEMBL12284278 0.82 TTK (1.00) TTKAURKBAURKAPLK4CHEK2
SCHEMBL12281036 0.82 TTK (0.80) TTKAURKBAURKAPLK4CHEK2
SCHEMBL2573333 0.82 TTK (1.00) TTKAURKBAURKAPLK4CHEK2
SCHEMBL2564968 0.81 TTK (1.00) TTKAURKBAURKAPLK4CHEK2

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