SCHEMBL5306339

SCHEMBL5306339

CC(C)(C)CN(NC(=O)OC(C)(C)C)c1nc(Cl)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.49
STK17A Q9UEE5 1/20 0.49
AAK1 Q2M2I8 5/20 0.36
ATR Q13535 1/20 0.34
MAPKAPK2 P49137 3/20 0.34
AKT1 P31749 2/20 0.33
TRPA1 O75762 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SYK P43405 2/20 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
SCHEMBL5823667 0.89 STK17B (0.43) STK17BSTK17AAAK1ATRMAPKAPK2
SCHEMBL3176616 0.88 STK17B (0.42) STK17BSTK17AAAK1ATRMAPKAPK2
SCHEMBL8244837 0.88 STK17B (0.42) STK17BSTK17AAAK1ATRMAPKAPK2
SCHEMBL5306326 0.86 STK17B (0.47) STK17BSTK17AAAK1ATRTRPA1
SCHEMBL5303425 0.85 STK17B (0.38) STK17BSTK17AAAK1ATRMAPKAPK2
SCHEMBL5302024 0.82 STK17B (0.44) STK17BSTK17ACKS1BSKP1SKP2
SCHEMBL8125809 0.78 ATR (0.42) STK17BSTK17AAAK1ATRMAPKAPK2
SCHEMBL8243223 0.77 STK17B (0.41) STK17BSTK17AAAK1ATRMAPKAPK2
SCHEMBL5304940 0.77 STK17B (0.41) STK17BSTK17AAAK1ATRMAPKAPK2
SCHEMBL3168722 0.76 STK17B (0.45) STK17BSTK17AAAK1ATRTRPA1

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