SCHEMBL13894052

SCHEMBL13894052

CNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C4COC4)cc3)c2C)c[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITK Q08881 11/20 0.47
BTK Q06187 8/20 0.44
KIT P10721 5/20 0.42
SRC P12931 5/20 0.42
FLT3 P36888 5/20 0.42
AURKA O14965 2/20 0.40
TTK P33981 2/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40

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
SCHEMBL13893949 0.86 ITK (0.57) ITKBTKKITSRCFLT3
SCHEMBL12650202 0.83 BTK (0.59) BTK
SCHEMBL13894290 0.83 ITK (0.58) ITKBTKKITSRCFLT3
SCHEMBL13894298 0.77 ITK (0.45) ITKBTKKITSRCFLT3
SCHEMBL13894049 0.77 BTK (0.43) ITKBTKKITSRCFLT3
SCHEMBL13894037 0.76 ITK (0.50) ITKBTKKITSRCFLT3
SCHEMBL3870962 0.74 BTK (0.70) ITKBTKKITSRCFLT3
SCHEMBL171935 0.73 BTK (0.59) ITKBTKKITSRCFLT3
SCHEMBL12650117 0.72 BTK (0.58) BTK
SCHEMBL13894022 0.72 ITK (0.49) ITKBTKKITSRCFLT3

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-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed