SCHEMBL8512837

SCHEMBL8512837

CC(C)(C)OC(=O)NC1CCN(c2cc(Cl)ncn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.55
SKP1 P63208 1/20 0.55
SKP2 Q13309 1/20 0.55
SUV39H2 Q9H5I1 7/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
MAP4K4 O95819 2/20 0.46
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
SMO Q99835 1/20 0.45
DRD2 P14416 2/20 0.44
CTSK P43235 2/20 0.43
RET P07949 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL2273395 0.88 CKS1B (0.55) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL18636766 0.88 JAK3 (0.48) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL13472399 0.86 CKS1B (0.56) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL17085624 0.86 CKS1B (0.53) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL2277215 0.85 CKS1B (0.53) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL21434039 0.84 SMO (0.53) CKS1BSKP1SKP2CNR1SMO
SCHEMBL15446618 0.82 CKS1B (0.54) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL8515361 0.82 SMO (0.44) CKS1BSKP1SKP2SMO
SCHEMBL28381103 0.82 CKS1B (0.56) CKS1BSKP1SKP2SUV39H2CNR1
SCHEMBL23881624 0.81 GPR119 (0.41) CKS1BSKP1SKP2SUV39H2CNR1

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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed