SCHEMBL4009389

SCHEMBL4009389

O=S(=O)(O)c1cccc(-c2cc3ccccc3[nH]2)c1-c1ccc2[nH]ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.44
▸ TRPA1 O75762 12/20 0.44
▸ CLK2 P49760 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41

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
SCHEMBL4008240 0.77 TRPA1 (0.49) CDC7TRPA1CLK2GSK3BCDK5
SCHEMBL4008937 0.76 TRPA1 (0.48) CDC7TRPA1CLK2GSK3BCDK5
SCHEMBL9818427 0.75 KDR (0.54) AURKAKDR
SCHEMBL2384183 0.72 KDR (0.48) GSK3BAURKAKDR
SCHEMBL4011766 0.71 ITK (0.54) CLK2DYRK1ACLK3FGFR1CDK2
SCHEMBL4010514 0.71 ITK (0.56) CLK2DYRK1ACLK3FGFR1CDK2
SCHEMBL4009386 0.70 ITK (0.56) CLK2DYRK1ACLK3FGFR1CDK2
SCHEMBL23783032 0.70 TRPA1 (0.59) TRPA1CLK2GSK3BCDK5DYRK1A
Indazole SCHEMBL27577839 0.67 HSP90AA1 (0.70) TRPA1CLK2GSK3BCDK5DYRK1A
SCHEMBL29727516 0.66 KDR (0.60) GSK3BAURKBAURKAKDR

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
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US claimed
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