SCHEMBL2564375

SCHEMBL2564375

CN(Cc1ccccc1)C(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 1.00
AURKB Q96GD4 1/20 0.55
INCENP Q9NQS7 1/20 0.55
ITK Q08881 1/20 0.55
MAPK8 P45983 1/20 0.54

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
SCHEMBL12282564 0.87 TTK (0.77) TTKAURKBMAPK8
SCHEMBL2561009 0.81 TTK (0.72) TTKAURKBINCENPMAPK8
SCHEMBL2571860 0.81 TTK (1.00) TTKAURKBINCENP
SCHEMBL12280706 0.77 TTK (0.68) TTKAURKBINCENP
SCHEMBL2567517 0.76 TTK (1.00) TTKMAPK8
SCHEMBL2582534 0.75 TTK (1.00) TTKAURKBINCENP
SCHEMBL2569400 0.75 TTK (1.00) TTKAURKB
SCHEMBL2564814 0.74 TTK (0.67) TTKAURKBMAPK8
SCHEMBL12282759 0.74 TTK (1.00) TTKMAPK8
SCHEMBL2567567 0.74 TTK (1.00) TTKAURKBINCENP

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