Sugi Predict

Sugi Predict / Compounds / SCHEMBL2570870

SCHEMBL2570870

SCHEMBL2570870

NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4cccs4)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 19/20 1.00
▸ PLK4 O00444 1/20 0.61
▸ CHEK2 O96017 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ AURKB Q96GD4 1/20 0.61

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
SCHEMBL2592354 0.92 TTK (0.85) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL2588127 0.85 TTK (1.00) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL2582272 0.84 TTK (0.72) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL12282220 0.83 TTK (0.71) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL2573333 0.83 TTK (1.00) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL2559987 0.82 TTK (0.69) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL2563660 0.81 TTK (1.00) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL12282712 0.81 TTK (0.70) TTKPLK4CHEK2CYP3A4CYP2C9
SCHEMBL5381114 0.80 TTK (0.67) TTK
SCHEMBL2569888 0.80 TTK (1.00) 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 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