SCHEMBL2561009

SCHEMBL2561009

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

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.72
AURKB Q96GD4 1/20 0.63
INCENP Q9NQS7 1/20 0.63
MAPK8 P45983 1/20 0.60

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
SCHEMBL2570707 0.88 MAPK1 (0.57) TTKAURKBINCENP
SCHEMBL2567517 0.84 TTK (1.00) TTKMAPK8
SCHEMBL2571860 0.83 TTK (1.00) TTKAURKBINCENP
SCHEMBL2563513 0.82 TTK (0.74) TTKMAPK8
SCHEMBL2564375 0.81 TTK (1.00) TTKAURKBINCENPMAPK8
SCHEMBL2866791 0.81 MAP2K4 (0.69) TTKAURKB
SCHEMBL2566947 0.81 TTK (0.73) TTKAURKBMAPK8
Hydrochloric Acid SCHEMBL2557647 0.81 TTK (0.73) TTKMAPK8
Trifluoroacetic Acid SCHEMBL2555732 0.81 TTK (0.65) TTKMAPK8
SCHEMBL5392302 0.81 AURKA (0.68) 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 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