SCHEMBL29487458

SCHEMBL29487458

Cc1cc(Nc2nc(Sc3ccccc3)nc(N3CCCCC3)c2C)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.61
GSK3B P49841 11/20 0.61
AURKB Q96GD4 10/20 0.61
SRC P12931 8/20 0.61
NTRK1 P04629 1/20 0.56
AURKC Q9UQB9 1/20 0.48
PLK4 O00444 1/20 0.47
IGF1R P08069 2/20 0.47

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
SCHEMBL18165846 1.00 AURKA (0.61) AURKAGSK3BAURKBSRCNTRK1
SCHEMBL29487474 0.92 AURKA (0.51) AURKAGSK3BAURKBSRCNTRK1
SCHEMBL18165868 0.92 AURKA (0.51) AURKAGSK3BAURKBSRCNTRK1
SCHEMBL19990520 0.91 AURKA (0.50) AURKAGSK3BAURKBSRCNTRK1
SCHEMBL29487466 0.90 AURKA (0.59) AURKAGSK3BAURKBSRCNTRK1
SCHEMBL18166023 0.90 AURKA (0.59) AURKAGSK3BAURKBSRCNTRK1
SCHEMBL18154723 0.89 AURKA (0.53) AURKAGSK3BAURKBSRCNTRK1
SCHEMBL19990409 0.88 AURKB (0.49) AURKAGSK3BAURKBSRCNTRK1
SCHEMBL19990599 0.88 AURKA (0.57) AURKAGSK3BAURKBSRCNTRK1
SCHEMBL19990549 0.88 AURKB (0.61) AURKAGSK3BAURKBSRCNTRK1

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