SCHEMBL2561024

SCHEMBL2561024

COc1cc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2cc1NC(=O)C(OC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.56
MAPK8 P45983 1/20 0.52
AURKB Q96GD4 1/20 0.52
INCENP Q9NQS7 1/20 0.52

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
SCHEMBL2561018 1.00 TTK (0.56) TTKMAPK8AURKBINCENP
SCHEMBL12282456 0.85 TTK (0.77) TTKAURKB
SCHEMBL12282500 0.85 TTK (0.77) TTKAURKB
SCHEMBL2591541 0.85 TTK (0.77) TTKAURKB
SCHEMBL2570701 0.79 ALDH1A1 (0.55)
SCHEMBL2570699 0.79 ALDH1A1 (0.55)
SCHEMBL12282340 0.77 TTK (0.66) TTKAURKB
SCHEMBL2565135 0.75 TTK (0.78) TTKMAPK8AURKB
SCHEMBL12282371 0.72 TTK (0.70) TTKAURKB
SCHEMBL12280943 0.72 TTK (0.75) TTKAURKB

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