SCHEMBL5454475

SCHEMBL5454475

COc1cc(N(CC(C)C)NC(=O)OC(C)(C)C)nc(C#N)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.34
AR P10275 1/20 0.34
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
CTSS P25774 3/20 0.33
NSD2 O96028 1/20 0.33
SYK P43405 1/20 0.32
CTSK P43235 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL5791173 0.88 GPR119 (0.39) AAK1CTSLCTSBCTSSCTSK
SCHEMBL5311129 0.88 LMNA (0.34) AAK1CTSLCTSBCTSSNSD2
SCHEMBL5305779 0.85 AAK1 (0.36) AAK1AR
SCHEMBL5791037 0.82 CTSK (0.42) AAK1CTSLCTSBCTSSCTSK
SCHEMBL8245020 0.77 CTSL (0.43) AAK1CTSLCTSBCTSSNSD2
SCHEMBL5791032 0.77 GPR119 (0.40) AAK1CTSLCTSBCTSSNSD2
SCHEMBL5819676 0.76 CTSK (0.41) AAK1CTSLCTSBCTSSCTSK
SCHEMBL5306751 0.75 STK17B (0.37) AAK1TRPA1
SCHEMBL8268828 0.74 CTSK (0.42) AAK1CTSLCTSBCTSSCTSK
SCHEMBL5302833 0.74 CTSS (0.37) AAK1CTSLCTSBCTSSCTSK

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-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed