SCHEMBL5591385

SCHEMBL5591385

CC(C)(C)OC(=O)NN(CC1CCCC1)c1nc(Cl)ncc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CACNA1B Q00975 3/20 0.34
AAK1 Q2M2I8 1/20 0.34
CNR2 P34972 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
IGF1R P08069 1/20 0.32
DRD2 P14416 2/20 0.32
S1PR1 P21453 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 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
SCHEMBL8244869 0.98 STK17B (0.39) STK17BSTK17ACACNA1BAAK1CNR2
SCHEMBL5302024 0.90 STK17B (0.44) STK17BSTK17ACACNA1BCNR2JAK3
SCHEMBL5305110 0.85 CTSS (0.42) CACNA1BAAK1CNR2JAK3BTK
SCHEMBL5305633 0.84 CTSS (0.43) CACNA1BCNR2JAK3BTK
SCHEMBL5309318 0.83 CTSS (0.40) AAK1CNR2JAK3BTKIGF1R
SCHEMBL3174379 0.83 STK17B (0.39) STK17BSTK17ACACNA1BAAK1JAK3
SCHEMBL3176616 0.83 STK17B (0.42) STK17BSTK17AAAK1CKS1BSKP1
SCHEMBL3169517 0.82 STK17B (0.38) STK17BSTK17ACACNA1BAAK1JAK3
SCHEMBL5304940 0.81 STK17B (0.41) STK17BSTK17AAAK1CKS1BSKP1
SCHEMBL3316282 0.81 STK17B (0.41) STK17BSTK17AAAK1ABL1BCR

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-2007025774-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed