SCHEMBL2592354

SCHEMBL2592354

NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4cccs4)cc23)c1.O=C(Nc1ccc2[nH]ncc2c1)c1cccs1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 19/20 0.85
▸ PLK4 O00444 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ AURKB Q96GD4 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
SCHEMBL2570870 0.92 TTK (1.00) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL2566770 0.80 NPC1 (0.65) —
SCHEMBL12282220 0.79 TTK (0.71) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL2588127 0.78 TTK (1.00) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL2582272 0.77 TTK (0.72) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL12282712 0.76 TTK (0.70) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL2573333 0.76 TTK (1.00) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL12245667 0.76 RAB9A (0.58) —
SCHEMBL2869945 0.76 TTK (0.67) TTK
SCHEMBL2559987 0.76 TTK (0.69) TTKPLK4CHEK2CYP3A4CYP2C9

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
Send feedback