SCHEMBL5616552

SCHEMBL5616552

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.61
AURKA O14965 10/20 0.61
CHEK1 O14757 2/20 0.40
KDR P35968 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
LRRK2 Q5S007 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
PIK3CA P42336 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
SCHEMBL5594245 0.93 AURKB (0.70) AURKBAURKACHEK1KDR
SCHEMBL5593800 0.91 AURKB (0.70) AURKBAURKACHEK1KDR
SCHEMBL5594004 0.88 AURKB (0.60) AURKBAURKACHEK1KDRBRD4
SCHEMBL5594008 0.88 AURKB (0.60) AURKBAURKACHEK1KDRBRD4
SCHEMBL5594049 0.84 AURKB (0.57) AURKBAURKATDP1
SCHEMBL5594047 0.84 AURKB (0.57) AURKBAURKATDP1
SCHEMBL5593744 0.82 AURKB (0.62) AURKBAURKA
SCHEMBL5593748 0.82 AURKB (0.62) AURKBAURKA
SCHEMBL14539135 0.82 AURKB (0.85) AURKBAURKAKDR
SCHEMBL5593867 0.81 AURKB (0.56) AURKBAURKACHEK1KDR

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