SCHEMBL16299243

SCHEMBL16299243

CC(C)(C)OC(=O)NC1CCN(c2nc(I)nc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.51
SKP1 P63208 1/20 0.51
SKP2 Q13309 1/20 0.51
CTSK P43235 2/20 0.47
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
EPHX1 P07099 1/20 0.42
KCNA3 P22001 1/20 0.42
PARP1 P09874 2/20 0.41
SUV39H2 Q9H5I1 2/20 0.41
BTK Q06187 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDE10A Q9Y233 2/20 0.41
CYP2C9 P11712 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL10055230 0.87 CKS1B (0.51) CKS1BSKP1SKP2CTSKOPRM1
SCHEMBL18759677 0.86 CKS1B (0.53) CKS1BSKP1SKP2CTSKOPRM1
SCHEMBL18748413 0.82 CKS1B (0.49) CKS1BSKP1SKP2CTSKOPRM1
SCHEMBL724405 0.81 ALDH1A1 (0.54) CKS1BSKP1SKP2CTSKCNR1
SCHEMBL4954279 0.80 GPR119 (0.61) CKS1BSKP1SKP2CTSKOPRM1
SCHEMBL21527544 0.80 CKS1B (0.48) CKS1BSKP1SKP2CTSKOPRM1
SCHEMBL9942511 0.78 ALDH1A1 (0.51) CKS1BSKP1SKP2SUV39H2BTK
SCHEMBL5222657 0.78 CKS1B (0.48) CKS1BSKP1SKP2CTSKOPRM1
SCHEMBL13494033 0.78 RBP4 (0.52) CKS1BSKP1SKP2
SCHEMBL21564356 0.78 CKS1B (0.55) CKS1BSKP1SKP2CTSKOPRM1

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-2012027625-A2 SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO disclosed