SCHEMBL3812176

SCHEMBL3812176

CCOC(=O)CCn1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)nc2cc(N(C)C(C)=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 19/20 0.49
▸ INSR P06213 9/20 0.49
▸ TXK P42681 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL3812178 0.87 ITK (0.53) ITKINSRTXKIRAK4
SCHEMBL3801872 0.78 ITK (0.51) ITKINSRTXKIRAK4
SCHEMBL3797852 0.78 ITK (0.50) ITKINSRTXK
SCHEMBL3801300 0.78 ITK (0.47) ITKINSRTXK
SCHEMBL13077039 0.77 ITK (0.57) ITKINSRTXK
SCHEMBL19236089 0.76 ITK (0.53) ITKINSRTXKIRAK4
SCHEMBL3800898 0.76 ITK (0.66) ITKINSRTXK
SCHEMBL3796215 0.75 ITK (0.54) ITKINSRTXKIRAK4
SCHEMBL3791176 0.72 ITK (0.47) ITKINSR
SCHEMBL3798557 0.72 KDM4E (0.52) ITKINSRIRAK4

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-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
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