SCHEMBL29487448

SCHEMBL29487448

CSc1nc(Nc2cc(C)[nH]n2)c(C)c(N(C)C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.41
GSK3B P49841 10/20 0.41
AURKB Q96GD4 9/20 0.41
SRC P12931 5/20 0.41
SYK P43405 2/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLK4 O00444 1/20 0.37
PAK4 O96013 1/20 0.37
IGF1R P08069 1/20 0.36

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
SCHEMBL18166024 1.00 AURKA (0.41) AURKAGSK3BAURKBSRCSYK
SCHEMBL29487420 0.85 AURKA (0.62) AURKAGSK3BAURKBSRC
SCHEMBL29487425 0.85 AURKA (0.51) AURKAGSK3BAURKBSRC
SCHEMBL18166026 0.85 AURKA (0.62) AURKAGSK3BAURKBSRC
SCHEMBL19998181 0.85 AURKA (0.51) AURKAGSK3BAURKBSRC
SCHEMBL29487455 0.84 AURKA (0.50) AURKAGSK3BAURKBSRCJAK2
SCHEMBL18166041 0.84 AURKA (0.50) AURKAGSK3BAURKBSRCJAK2
SCHEMBL18165842 0.78 AURKB (0.64) AURKAGSK3BAURKBSRCSYK
SCHEMBL18166051 0.77 AURKB (0.53) AURKAGSK3BAURKBSRCPLK4
SCHEMBL18154742 0.75 AURKB (0.66) AURKAGSK3BAURKBSRCSYK

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