SCHEMBL14723715

SCHEMBL14723715

CC(F)(F)CNC(=O)c1ccc(Sc2nc(Nc3ncns3)cc(N3CC(F)(C4CC4)C3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 11/20 0.33
AURKA O14965 10/20 0.33
AXL P30530 3/20 0.33
PLK4 O00444 2/20 0.33
AURKC Q9UQB9 2/20 0.33
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
BMPR1B O00238 1/20 0.33
STK25 O00506 1/20 0.33
RIOK3 O14730 1/20 0.33
CHEK1 O14757 1/20 0.33
GAK O14976 1/20 0.33
MUSK O15146 1/20 0.33
EPHB6 O15197 1/20 0.33
PDPK1 O15530 1/20 0.33
MAP3K13 O43283 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP3K7 O43318 1/20 0.33
NUAK1 O60285 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL1148246 0.94 AURKB (0.33) AURKBAURKAAXLPLK4AURKC
SCHEMBL1147573 0.83 AURKB (0.41) AURKBAURKAAXLPLK4AURKC
SCHEMBL13219751 0.82 AURKB (0.50) AURKBAURKAAXLPLK4AURKC
SCHEMBL1147563 0.81 AURKB (0.49) AURKBAURKAAXLPLK4AURKC
SCHEMBL13004281 0.78 AURKA (0.39) AURKBAURKAAXLPLK4AURKC
SCHEMBL1147568 0.74 PTGES (0.35) CHEK1
SCHEMBL14021480 0.73 JAK1 (0.33) AURKBAURKAAXLPLK4AURKC
SCHEMBL13199435 0.71 AURKB (0.43) AURKBAURKAAXLPLK4AURKC
SCHEMBL16156485 0.70 AURKB (0.41) AURKBAURKAAXLPLK4AURKC
SCHEMBL1148025 0.69 AURKB (0.43) AURKBAURKAAXLPLK4AURKC

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
US-8383633-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-26 US disclosed