SCHEMBL5593744

SCHEMBL5593744

CN1CCN(Cc2cccc(/C=C/c3n[nH]c4cc(N5CCOCC5)c(NS(C)(=O)=O)cc34)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 14/20 0.62
AURKA O14965 14/20 0.62
PLK4 O00444 2/20 0.40
PRKCQ Q04759 2/20 0.38
PRKCD Q05655 2/20 0.38

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
SCHEMBL5593748 1.00 AURKB (0.62) AURKBAURKAPLK4PRKCQPRKCD
SCHEMBL5603972 0.98 AURKB (0.62) AURKBAURKAPLK4PRKCQPRKCD
SCHEMBL5593859 0.98 AURKB (0.62) AURKBAURKAPLK4PRKCQPRKCD
SCHEMBL5594008 0.85 AURKB (0.60) AURKBAURKA
SCHEMBL5594004 0.85 AURKB (0.60) AURKBAURKA
SCHEMBL14539135 0.83 AURKB (0.85) AURKBAURKA
SCHEMBL5593672 0.82 AURKB (0.69) AURKBAURKAPLK4
SCHEMBL5616552 0.82 AURKB (0.61) AURKBAURKA
SCHEMBL5594049 0.82 AURKB (0.57) AURKBAURKA
SCHEMBL5594047 0.82 AURKB (0.57) AURKBAURKA

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
WO-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO claimed