SCHEMBL29487472

SCHEMBL29487472

Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CCCC4)cc3)nc(N3CCN(CCN(C)C)CC3)c2C)n[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 3/20 0.65
AURKA O14965 10/20 0.61
AURKB Q96GD4 10/20 0.61
RIPK1 Q13546 2/20 0.61
AURKC Q9UQB9 8/20 0.58
SRC P12931 2/20 0.58
BMPR1B O00238 1/20 0.58
STK25 O00506 1/20 0.58
RIOK3 O14730 1/20 0.58
CHEK1 O14757 1/20 0.58
GAK O14976 1/20 0.58
MUSK O15146 1/20 0.58
EPHB6 O15197 1/20 0.58
PDPK1 O15530 1/20 0.58
MAP3K13 O43283 1/20 0.58
DAPK3 O43293 1/20 0.58
MAP3K7 O43318 1/20 0.58
NUAK1 O60285 1/20 0.58
JAK2 O60674 1/20 0.58
ERN1 O75460 1/20 0.58

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
SCHEMBL18165844 1.00 PLK4 (0.65) PLK4AURKAAURKBRIPK1AURKC
SCHEMBL18154768 0.97 PLK4 (0.69) PLK4AURKAAURKBRIPK1AURKC
SCHEMBL29487421 0.92 PLK4 (0.79) PLK4AURKAAURKBRIPK1AURKC
SCHEMBL18165892 0.92 PLK4 (0.79) PLK4AURKAAURKBRIPK1AURKC
SCHEMBL19990541 0.91 PLK4 (0.68) PLK4AURKAAURKBRIPK1AURKC
SCHEMBL18154667 0.91 PLK4 (0.78) PLK4AURKAAURKBRIPK1AURKC
SCHEMBL19990645 0.90 PLK4 (0.69) PLK4AURKAAURKBRIPK1AURKC
SCHEMBL18165858 0.90 AURKB (0.59) PLK4AURKAAURKBRIPK1AURKC
SCHEMBL19990635 0.89 PLK4 (0.78) PLK4AURKAAURKBRIPK1AURKC
SCHEMBL19990791 0.89 PLK4 (0.68) PLK4AURKAAURKBRIPK1AURKC

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