SCHEMBL3812178

SCHEMBL3812178

CCOC(=O)CCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2cc(N(C)C(C)=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 19/20 0.53
▸ INSR P06213 10/20 0.53
▸ IRAK4 Q9NWZ3 1/20 0.52
▸ TXK P42681 2/20 0.49

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
SCHEMBL13077039 0.91 ITK (0.57) ITKINSRTXK
SCHEMBL19236089 0.90 ITK (0.53) ITKINSRIRAK4TXK
SCHEMBL3800898 0.90 ITK (0.66) ITKINSRTXK
SCHEMBL3796215 0.89 ITK (0.54) ITKINSRIRAK4TXK
SCHEMBL3812176 0.87 ITK (0.49) ITKINSRIRAK4TXK
SCHEMBL3798557 0.84 KDM4E (0.52) ITKINSRIRAK4
SCHEMBL13076398 0.84 ITK (0.53) ITKINSRIRAK4TXK
SCHEMBL3800341 0.83 ITK (0.48) ITKINSRIRAK4TXK
SCHEMBL3799723 0.82 MEN1 (0.51) ITKINSRIRAK4
SCHEMBL13076790 0.82 ITK (0.49) ITKINSRIRAK4TXK

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