SCHEMBL13894038

SCHEMBL13894038

CN(C)c1ccc(C(=O)Nc2cccc(-c3c[nH]c(=O)c(Nc4ccc(C(=O)NCCO)cn4)c3)c2CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITK Q08881 7/20 0.47
KIT P10721 2/20 0.47
SRC P12931 2/20 0.47
FLT3 P36888 2/20 0.47
BTK Q06187 7/20 0.45
CLK2 P49760 1/20 0.45
FYN P06241 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
F10 P00742 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GABRA5 P31644 1/20 0.36
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35

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
SCHEMBL13893959 0.88 BTK (0.43) ITKKITSRCFLT3BTK
SCHEMBL13893961 0.88 BTK (0.48) ITKKITSRCFLT3BTK
SCHEMBL13894039 0.87 BTK (0.44) ITKKITSRCFLT3BTK
SCHEMBL13894040 0.87 BTK (0.44) ITKKITSRCFLT3BTK
SCHEMBL13894117 0.86 ITK (0.53) ITKKITSRCFLT3BTK
SCHEMBL13894111 0.83 BTK (0.53) ITKKITSRCFLT3BTK
SCHEMBL13894122 0.79 ITK (0.54) ITKKITSRCFLT3BTK
SCHEMBL13893962 0.76 BTK (0.41) ITKBTKCLK2KDM4ELMNA
SCHEMBL13894051 0.76 BTK (0.67) SRCBTKCLK2KDM4E
SCHEMBL13893960 0.75 BTK (0.43) 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