SCHEMBL4008243

SCHEMBL4008243

O=S(=O)(O)c1cccc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 14/20 0.48
▸ CLK2 P49760 3/20 0.42
▸ CLK3 P49761 3/20 0.42
▸ DYRK1A Q13627 3/20 0.42
▸ CHEK1 O14757 2/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ TRPA1 O75762 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
SCHEMBL4009386 0.86 ITK (0.56) ITKCLK2CLK3DYRK1ACHEK1
SCHEMBL4011766 0.83 ITK (0.54) ITKCLK2CLK3DYRK1ACHEK1
SCHEMBL4010514 0.80 ITK (0.56) ITKCLK2CLK3DYRK1ACHEK1
SCHEMBL4008237 0.74 ITK (0.53) ITKFGFR1TRPA1
SCHEMBL4008240 0.74 TRPA1 (0.49) CLK2CLK3DYRK1AFGFR1CDK2
SCHEMBL4008940 0.73 ITK (0.50) ITKCLK2CLK3DYRK1ACHEK1
SCHEMBL4003035 0.73 ITK (0.60) ITK
SCHEMBL4008236 0.73 NR3C1 (0.38) TRPA1
SCHEMBL1459731 0.70 ITK (0.53) ITKCLK2CLK3DYRK1ACHEK1
SCHEMBL18487449 0.69 ITK (0.68) ITKCLK2CLK3DYRK1ACHEK1

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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