SCHEMBL7246239

SCHEMBL7246239

Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)N(CCC#N)C3CCCCCCC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.46
F2 P00734 1/20 0.45
AURKA O14965 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43
PHKG2 P15735 1/20 0.43
MARK3 P27448 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3B P49841 1/20 0.43
IRAK1 P51617 1/20 0.43
RPS6KA3 P51812 1/20 0.43
NEK4 P51957 1/20 0.43
CSNK1G2 P78368 1/20 0.43
MAP4K2 Q12851 1/20 0.43
PRKAA1 Q13131 1/20 0.43
CAMK2B Q13554 1/20 0.43

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
SCHEMBL7246155 0.88 F2 (0.47) ITKF2AURKAMAP4K4CHEK2
SCHEMBL6775078 0.87 ITK (0.43) ITKF2AURKAMAP4K4CHEK2
SCHEMBL7244700 0.84 F2 (0.48) ITKF2AURKAMAP4K4CHEK2
SCHEMBL7246953 0.82 F2 (0.46) ITKF2CNR2CNR1
SCHEMBL7245646 0.82 F2 (0.63) ITKF2
SCHEMBL7249743 0.81 F2 (0.53) ITKF2
SCHEMBL7243952 0.81 F2 (0.59) ITKF2
SCHEMBL7245210 0.81 F2 (0.51) ITKF2CNR2CNR1
SCHEMBL7245590 0.81 CNR2 (0.45) F2CNR2CNR1
SCHEMBL7244643 0.80 F2 (0.50) F2CNR2CNR1

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-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed