SCHEMBL4010511

SCHEMBL4010511

O=S(=O)(Oc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 18/20 0.62
▸ FGFR1 P11362 1/20 0.48
▸ TRPA1 O75762 1/20 0.45

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
SCHEMBL4004440 0.84 TTK (0.52) —
SCHEMBL4008935 0.84 FGFR1 (0.56) ITKFGFR1
SCHEMBL4011763 0.81 ITK (0.57) ITKFGFR1
SCHEMBL1460612 0.80 ITK (0.80) ITK
SCHEMBL4014470 0.79 TTK (0.41) ITK
SCHEMBL4008237 0.78 ITK (0.53) ITKFGFR1TRPA1
SCHEMBL141981 0.78 ITK (1.00) ITKTRPA1
SCHEMBL4008264 0.78 TTK (0.43) ITK
SCHEMBL4004563 0.78 TTK (0.41) ITK
SCHEMBL4008249 0.78 TTK (0.41) ITK

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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