SCHEMBL2582534

SCHEMBL2582534

NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(CNC(=O)c4ccccc4)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 1.00
AURKB Q96GD4 1/20 0.56
INCENP Q9NQS7 1/20 0.56

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
SCHEMBL2571860 0.90 TTK (1.00) TTKAURKBINCENP
SCHEMBL12281862 0.84 TTK (0.82) TTKAURKBINCENP
SCHEMBL12281666 0.82 TTK (0.82) TTKAURKBINCENP
SCHEMBL2567567 0.81 TTK (1.00) TTKAURKBINCENP
SCHEMBL5803542 0.81 TTK (0.68) TTK
SCHEMBL12281007 0.81 TTK (0.79) TTKAURKB
SCHEMBL5377830 0.81 MAPK1 (0.68) TTK
SCHEMBL2564814 0.80 TTK (0.67) TTKAURKB
SCHEMBL2573137 0.80 TTK (1.00) TTKAURKBINCENP
SCHEMBL12281670 0.79 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