SCHEMBL4008940

SCHEMBL4008940

O=S(=O)(O)c1c(Cl)ccc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 14/20 0.50
▸ FGFR1 P11362 2/20 0.45
▸ CLK2 P49760 3/20 0.44
▸ CLK3 P49761 3/20 0.44
▸ DYRK1A Q13627 3/20 0.44
▸ CHEK1 O14757 2/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ KDR P35968 1/20 0.42

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 0.82 ITK (0.56) ITKFGFR1CLK2CLK3DYRK1A
SCHEMBL4011766 0.80 ITK (0.54) ITKFGFR1CLK2CLK3DYRK1A
SCHEMBL4010514 0.74 ITK (0.56) ITKFGFR1CLK2CLK3DYRK1A
SCHEMBL4008243 0.73 ITK (0.48) ITKFGFR1CLK2CLK3DYRK1A
SCHEMBL4008935 0.73 FGFR1 (0.56) ITKFGFR1CHEK1CDK4CCNA2
SCHEMBL1459731 0.73 ITK (0.53) ITKFGFR1CLK2CLK3DYRK1A
SCHEMBL18487449 0.72 ITK (0.68) ITKFGFR1CLK2CLK3DYRK1A
SCHEMBL4008937 0.71 TRPA1 (0.48) FGFR1CLK2CLK3DYRK1ACDK2
SCHEMBL4008930 0.70 SCN9A (0.36) FGFR1KDR
SCHEMBL3927404 0.70 ITK (0.73) ITKFGFR1CHEK1CDK4CCNA2

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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