SCHEMBL29487459

SCHEMBL29487459

CNc1nc(Sc2ccc(NC(=O)C3CC3)cc2)nc(Nc2cc(C)[nH]n2)c1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 11/20 0.73
SRC P12931 4/20 0.73
GSK3B P49841 3/20 0.73
AURKA O14965 11/20 0.68
AURKC Q9UQB9 8/20 0.68
PLK4 O00444 3/20 0.64
RIPK1 Q13546 2/20 0.63
BMPR1B O00238 1/20 0.63
STK25 O00506 1/20 0.63
RIOK3 O14730 1/20 0.63
CHEK1 O14757 1/20 0.63
GAK O14976 1/20 0.63
MUSK O15146 1/20 0.63
EPHB6 O15197 1/20 0.63
PDPK1 O15530 1/20 0.63
MAP3K13 O43283 1/20 0.63
DAPK3 O43293 1/20 0.63
MAP3K7 O43318 1/20 0.63
NUAK1 O60285 1/20 0.63
JAK2 O60674 1/20 0.63

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
SCHEMBL18154772 1.00 AURKB (0.73) AURKBSRCGSK3BAURKAAURKC
SCHEMBL19990526 0.92 AURKB (0.75) AURKBSRCGSK3BAURKAAURKC
SCHEMBL18154749 0.90 AURKB (0.70) AURKBSRCGSK3BAURKAAURKC
SCHEMBL18154799 0.90 AURKB (0.70) AURKBSRCGSK3BAURKAAURKC
SCHEMBL18154727 0.90 AURKB (0.72) AURKBSRCGSK3BAURKAAURKC
SCHEMBL18154653 0.89 PLK4 (0.75) AURKBSRCGSK3BAURKAAURKC
SCHEMBL18154841 0.88 AURKB (0.70) AURKBSRCGSK3BAURKAAURKC
SCHEMBL1104324 0.87 AURKB (0.73) AURKBSRCGSK3BAURKAAURKC
SCHEMBL18154750 0.86 AURKB (0.65) AURKBSRCGSK3BAURKAAURKC
SCHEMBL18154779 0.86 AURKB (0.65) AURKBSRCGSK3BAURKAAURKC

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