SCHEMBL3802008

SCHEMBL3802008

CCCn1c(NC(=O)c2c[c]ccc2)nc2cc(N(C)C(C)=O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 18/20 0.58
▸ INSR P06213 5/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TXK P42681 2/20 0.51
▸ MAP4K4 O95819 2/20 0.51
▸ PHKG2 P15735 2/20 0.51
▸ MARK3 P27448 2/20 0.51
▸ CSNK1A1 P48729 2/20 0.51
▸ CSNK1D P48730 2/20 0.51
▸ CLK2 P49760 2/20 0.51
▸ IRAK1 P51617 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ NEK4 P51957 2/20 0.51
▸ CSNK1G2 P78368 2/20 0.51
▸ MAP4K2 Q12851 2/20 0.51
▸ CAMK2G Q13555 2/20 0.51
▸ DYRK1A Q13627 2/20 0.51

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
SCHEMBL3795349 0.84 ITK (0.59) ITKINSRKDM4EMEN1TSHR
SCHEMBL3808813 0.79 ITK (0.59) ITKINSRKDM4ETXKMAP4K4
SCHEMBL13076216 0.79 ITK (0.51) ITKINSRKDM4EMEN1TSHR
SCHEMBL19236089 0.78 ITK (0.53) ITKINSRKDM4EMEN1TSHR
SCHEMBL3800341 0.76 ITK (0.48) ITKINSRKDM4EMEN1TSHR
SCHEMBL3797852 0.75 ITK (0.50) ITKINSRKDM4EMEN1TSHR
SCHEMBL3801872 0.75 ITK (0.51) ITKINSRKDM4EMEN1TSHR
SCHEMBL3796215 0.74 ITK (0.54) ITKINSRKDM4EMEN1TSHR
SCHEMBL14586353 0.73 ITK (1.00) ITKINSRTXKCSNK1DRPS6KA3
SCHEMBL3795324 0.73 ITK (0.48) ITKINSRKDM4EMEN1TSHR

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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