SCHEMBL29487447

SCHEMBL29487447

COC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c(C)c(N3CCCCC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 3/20 0.61
AURKB Q96GD4 15/20 0.59
AURKA O14965 13/20 0.59
SRC P12931 4/20 0.53
AURKC Q9UQB9 4/20 0.53
GSK3B P49841 3/20 0.53
RIPK1 Q13546 2/20 0.51
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
BMPR1B O00238 1/20 0.49
STK25 O00506 1/20 0.49
RIOK3 O14730 1/20 0.49
CHEK1 O14757 1/20 0.49
GAK O14976 1/20 0.49
MUSK O15146 1/20 0.49
EPHB6 O15197 1/20 0.49
PDPK1 O15530 1/20 0.49
MAP3K13 O43283 1/20 0.49
DAPK3 O43293 1/20 0.49
MAP3K7 O43318 1/20 0.49

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
SCHEMBL18165869 1.00 PLK4 (0.61) PLK4AURKBAURKASRCAURKC
SCHEMBL19990549 0.93 AURKB (0.61) PLK4AURKBAURKASRCAURKC
SCHEMBL19990508 0.92 AURKB (0.63) PLK4AURKBAURKASRCAURKC
SCHEMBL18154682 0.92 AURKB (0.63) PLK4AURKBAURKASRCAURKC
SCHEMBL19990470 0.91 AURKB (0.64) PLK4AURKBAURKASRCAURKC
SCHEMBL19990388 0.91 AURKB (0.58) PLK4AURKBAURKASRCAURKC
SCHEMBL18154834 0.89 PLK4 (0.72) PLK4AURKBAURKASRCAURKC
SCHEMBL19990791 0.88 PLK4 (0.68) PLK4AURKBAURKASRCAURKC
SCHEMBL18154723 0.87 AURKA (0.53) PLK4AURKBAURKASRCAURKC
SCHEMBL18165868 0.86 AURKA (0.51) PLK4AURKBAURKASRCAURKC

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
EP-3283482-B1 PLK4 INHIBITORS LUDWIG INST FOR CANCER RES LTD (CH) 2022-04-06 EP disclosed