SCHEMBL5311129

SCHEMBL5311129

COC(=O)c1cc(N(CC(C)C)NC(=O)OC(C)(C)C)nc(C#N)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
AAK1 Q2M2I8 8/20 0.33
CTSL P07711 3/20 0.32
CTSB P07858 3/20 0.32
CTSS P25774 3/20 0.32
SYK P43405 1/20 0.32
CTSK P43235 1/20 0.31
ABCB1 P08183 1/20 0.31
TRPA1 O75762 1/20 0.31
CHEK1 O14757 1/20 0.31
KCNH2 Q12809 1/20 0.31
NSD2 O96028 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL5454475 0.88 AAK1 (0.34) LMNAAAK1CTSLCTSBCTSS
SCHEMBL5791173 0.86 GPR119 (0.39) AAK1CTSLCTSBCTSSCTSK
SCHEMBL5306992 0.84 ATR (0.36) AAK1ABCB1TRPA1ATR
SCHEMBL5791037 0.80 CTSK (0.42) AAK1CTSLCTSBCTSSCTSK
SCHEMBL5819676 0.74 CTSK (0.41) AAK1CTSLCTSBCTSSCTSK
SCHEMBL5306751 0.74 STK17B (0.37) AAK1TRPA1
SCHEMBL8245020 0.73 CTSL (0.43) AAK1CTSLCTSBCTSSSYK
SCHEMBL5791032 0.73 GPR119 (0.40) AAK1CTSLCTSBCTSSCTSK
SCHEMBL5302833 0.73 CTSS (0.37) AAK1CTSLCTSBCTSSCTSK
SCHEMBL8268828 0.73 CTSK (0.42) 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