SCHEMBL5594008

SCHEMBL5594008

CS(=O)(=O)Nc1cc2c(C=Cc3cccc(N)c3)n[nH]c2cc1N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 11/20 0.60
AURKA O14965 11/20 0.60
KDR P35968 6/20 0.41
FGFR1 P11362 1/20 0.40
CHEK1 O14757 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 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
SCHEMBL5594004 1.00 AURKB (0.60) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5594028 0.92 AURKB (0.69) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5594031 0.92 AURKB (0.69) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5593672 0.90 AURKB (0.69) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5616552 0.88 AURKB (0.61) AURKBAURKAKDRCHEK1BRD4
SCHEMBL5594047 0.87 AURKB (0.57) AURKBAURKA
SCHEMBL5594049 0.87 AURKB (0.57) AURKBAURKA
SCHEMBL5593748 0.85 AURKB (0.62) AURKBAURKA
SCHEMBL5593744 0.85 AURKB (0.62) AURKBAURKA
SCHEMBL5593859 0.82 AURKB (0.62) 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