Sugi Predict

Sugi Predict / Compounds / SCHEMBL29487474

SCHEMBL29487474

SCHEMBL29487474

Cc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c(C)c(N3CCCCC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 13/20 0.51
▸ AURKB Q96GD4 11/20 0.51
▸ GSK3B P49841 8/20 0.50
▸ SRC P12931 7/20 0.50
▸ PLK4 O00444 1/20 0.49
▸ NTRK1 P04629 1/20 0.47
▸ IGF1R P08069 2/20 0.47
▸ AURKC Q9UQB9 1/20 0.44
▸ RIPK1 Q13546 1/20 0.43

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
SCHEMBL18165868 1.00 AURKA (0.51) AURKAAURKBGSK3BSRCPLK4
SCHEMBL19990520 0.93 AURKA (0.50) AURKAAURKBGSK3BSRCPLK4
SCHEMBL18165846 0.92 AURKA (0.61) AURKAAURKBGSK3BSRCPLK4
SCHEMBL29487458 0.92 AURKA (0.61) AURKAAURKBGSK3BSRCPLK4
SCHEMBL18154723 0.91 AURKA (0.53) AURKAAURKBGSK3BSRCPLK4
SCHEMBL19990409 0.90 AURKB (0.49) AURKAAURKBGSK3BSRCPLK4
SCHEMBL29487390 0.90 AURKA (0.52) AURKAAURKBGSK3BSRCPLK4
SCHEMBL19998180 0.90 AURKA (0.52) AURKAAURKBGSK3BSRCPLK4
SCHEMBL18166034 0.88 PLK4 (0.53) AURKAAURKBGSK3BSRCPLK4
SCHEMBL19990549 0.88 AURKB (0.61) AURKAAURKBGSK3BSRCPLK4

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