SCHEMBL13894117

SCHEMBL13894117

CN(C)c1ccc(C(=O)Nc2cccc(-c3c[nH]c(=O)c(Nc4ccccn4)c3)c2CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 9/20 0.53
KIT P10721 4/20 0.53
SRC P12931 4/20 0.53
FLT3 P36888 4/20 0.53
BTK Q06187 2/20 0.42
CLK2 P49760 1/20 0.41
TTK P33981 3/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
INCENP Q9NQS7 2/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
KCNK3 O14649 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13894038 0.86 ITK (0.47) ITKKITSRCFLT3BTK
SCHEMBL13894054 0.85 CLK2 (0.42) ITKKITSRCFLT3BTK
SCHEMBL3867903 0.85 BTK (0.58) BTKCLK2
SCHEMBL13894122 0.81 ITK (0.54) ITKKITSRCFLT3BTK
SCHEMBL13894111 0.81 BTK (0.53) ITKKITSRCFLT3BTK
SCHEMBL13894051 0.74 BTK (0.67) SRCBTKCLK2RAB9A
SCHEMBL13893960 0.74 BTK (0.43) ITKKITSRCFLT3BTK
SCHEMBL13893959 0.73 BTK (0.43) ITKKITSRCFLT3BTK
SCHEMBL13893961 0.73 BTK (0.48) ITKKITSRCFLT3BTK
SCHEMBL13894039 0.73 BTK (0.44) ITKKITSRCFLT3BTK

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