SCHEMBL14697486

SCHEMBL14697486

CN(C(=O)C1CCC1)c1ccc2c(c1)nc(N)n2CC(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 20/20 0.49
INSR P06213 9/20 0.49
TEC P42680 1/20 0.47
TXK P42681 1/20 0.47
CHEK2 O96017 1/20 0.46
NTRK1 P04629 1/20 0.46
PRKCG P05129 1/20 0.46
LCK P06239 1/20 0.46
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
EPHA2 P29317 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK1D P48730 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PLK1 P53350 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL14708840 0.87 ITK (0.53) ITKINSRTECTXKCHEK2
SCHEMBL14708837 0.87 ITK (0.53) ITKINSRTECTXKCHEK2
SCHEMBL14708988 0.83 ITK (0.64) ITKINSRTECTXKCHEK2
SCHEMBL6274413 0.81 ITK (0.39) ITKINSR
SCHEMBL14708857 0.81 ITK (0.46) ITKINSR
SCHEMBL14708876 0.81 ITK (0.39) ITKINSR
SCHEMBL5576415 0.81 ITK (0.69) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL14698057 0.81 ITK (0.53) ITKINSRTECTXKCHEK2
SCHEMBL21310889 0.80 BACE1 (0.39) ITKINSR
SCHEMBL6277070 0.79 ALDH1A1 (0.38) ITKINSR

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-2013024427-A1 NOVEL UREA DERIVATIVES AS TEC KINASE INHIBITORS AND USES THEREOF GLENMARK PHARMACEUTICALS S.A. (CH) 2013-02-21 WO disclosed