SCHEMBL8243223

SCHEMBL8243223

Bc1cnc(Cl)nc1N(CCC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
ATR Q13535 1/20 0.32
MAPKAPK2 P49137 3/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
TRPA1 O75762 1/20 0.31
AKT1 P31749 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
SCHEMBL8243205 0.87 STK17B (0.40) STK17BSTK17AATRMAPKAPK2CKS1B
SCHEMBL5304940 0.87 STK17B (0.41) STK17BSTK17AATRMAPKAPK2CKS1B
SCHEMBL5306339 0.77 STK17B (0.49) STK17BSTK17AATRMAPKAPK2CKS1B
SCHEMBL5823667 0.76 STK17B (0.43) STK17BSTK17AATRMAPKAPK2CKS1B
SCHEMBL3176616 0.75 STK17B (0.42) STK17BSTK17AATRMAPKAPK2CKS1B
SCHEMBL8244837 0.75 STK17B (0.42) STK17BSTK17AATRMAPKAPK2CKS1B
SCHEMBL5306326 0.73 STK17B (0.47) STK17BSTK17AATRAAK1TRPA1
SCHEMBL5792631 0.72 STK17B (0.42) STK17BSTK17AAAK1TRPA1
SCHEMBL3316282 0.71 STK17B (0.41) STK17BSTK17AAAK1TRPA1AKT1
SCHEMBL5306991 0.71 STK17B (0.41) STK17BSTK17AAAK1TRPA1

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