SCHEMBL3957883

SCHEMBL3957883

CC(C)(C)OC(=O)c1ccc(-c2ccnc(NCC3CC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCP P55072 13/20 0.58
ACACB O00763 3/20 0.46
ACACA Q13085 3/20 0.46
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
USP30 Q70CQ3 2/20 0.42

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
SCHEMBL2581731 0.83 VCP (0.54) VCPACACBACACA
SCHEMBL27560856 0.76 MAPK14 (0.42) VCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL3645812 0.75 CYP11B2 (0.57) VCP
SCHEMBL21621308 0.75 MAPK14 (0.62) VCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL3957879 0.74 HDAC8 (0.43) USP30
SCHEMBL3956297 0.74 AAK1 (0.48)
SCHEMBL34464863 0.74 AAK1 (0.51)
SCHEMBL2581961 0.73 VCP (0.59) VCPJAK2JAK3MAPK13MAPK12
SCHEMBL12001468 0.72 ACACB (0.69) VCPACACBJAK2JAK3
SCHEMBL3652082 0.72 JAK2 (0.49) VCPJAK2JAK3USP30

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-2009034390-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2009-03-19 WO disclosed