SCHEMBL14022316

SCHEMBL14022316

CC1(C2CC2)CN(c2cc(Nc3ccccn3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 13/20 0.56
AURKA O14965 11/20 0.56
AURKC Q9UQB9 3/20 0.56
PLK4 O00444 2/20 0.56
SRC P12931 2/20 0.56
ABL1 P00519 2/20 0.56
BCR P11274 2/20 0.56
BMPR1B O00238 1/20 0.56
STK25 O00506 1/20 0.56
RIOK3 O14730 1/20 0.56
CHEK1 O14757 1/20 0.56
GAK O14976 1/20 0.56
MUSK O15146 1/20 0.56
EPHB6 O15197 1/20 0.56
PDPK1 O15530 1/20 0.56
MAP3K13 O43283 1/20 0.56
DAPK3 O43293 1/20 0.56
MAP3K7 O43318 1/20 0.56
NUAK1 O60285 1/20 0.56
JAK2 O60674 1/20 0.56

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
SCHEMBL1148226 0.90 AURKB (0.54) AURKBAURKAAURKCPLK4SRC
SCHEMBL13219759 0.83 AURKB (0.55) AURKBAURKAAURKCPLK4SRC
SCHEMBL1148007 0.80 AURKB (0.52) AURKBAURKAAURKCPLK4SRC
SCHEMBL75631 0.78 AURKB (0.76) AURKBAURKAAURKCPLK4SRC
SCHEMBL1148114 0.78 AURKB (0.45) AURKBAURKAAURKCPLK4SRC
SCHEMBL75584 0.78 AURKB (0.75) AURKBAURKAAURKCPLK4SRC
SCHEMBL2961635 0.77 AURKB (0.73) AURKBAURKAAURKCPLK4SRC
SCHEMBL13199262 0.76 AURKB (0.56) AURKBAURKAAURKCPLK4SRC
SCHEMBL75646 0.75 AURKB (0.61) AURKBAURKAAURKCPLK4SRC
SCHEMBL1147563 0.75 AURKB (0.49) AURKBAURKAAURKCPLK4SRC

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-2008137621-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-13 WO disclosed