SCHEMBL2567567

SCHEMBL2567567

Cc1ccccc1CNC(=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 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 1.00
CSNK1D P48730 1/20 0.60
AURKB Q96GD4 2/20 0.58
INCENP Q9NQS7 1/20 0.58
CA2 P00918 1/20 0.57
PLK4 O00444 1/20 0.56
CHEK2 O96017 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPK3 P27361 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL2575066 0.92 TTK (0.85) TTKCSNK1DAURKBINCENPCA2
SCHEMBL12281862 0.90 TTK (0.82) TTKCSNK1DAURKBINCENPPLK4
SCHEMBL12281666 0.90 TTK (0.82) TTKCSNK1DAURKBINCENPPLK4
SCHEMBL2573137 0.88 TTK (1.00) TTKCSNK1DAURKBINCENPPLK4
SCHEMBL2571860 0.87 TTK (1.00) TTKAURKBINCENPMAPK3MAPK1
SCHEMBL12284560 0.83 TTK (0.77) TTKAURKBINCENPMAPK1
SCHEMBL12281670 0.82 TTK (1.00) TTKAURKBINCENP
SCHEMBL2564968 0.82 TTK (1.00) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL2582534 0.81 TTK (1.00) TTKAURKBINCENP
SCHEMBL12907323 0.80 TTK (0.66) TTKCSNK1DCA2MAPK3MAPK1

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