SCHEMBL5222657

SCHEMBL5222657

Cc1nc(N2CCC(NC(=O)OC(C)(C)C)CC2)nc(C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
CTSK P43235 2/20 0.42
PDE10A Q9Y233 2/20 0.41
KCNA3 P22001 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
BTK Q06187 1/20 0.39
RBP4 P02753 1/20 0.39
DRD2 P14416 2/20 0.39
NAMPT P43490 1/20 0.38
PARP1 P09874 2/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL13793918 0.81 CKS1B (0.58) CKS1BSKP1SKP2PDE10AKCNA3
SCHEMBL5224077 0.80 CKS1B (0.47) CKS1BSKP1SKP2CTSKPDE10A
SCHEMBL18759677 0.80 CKS1B (0.53) CKS1BSKP1SKP2CTSKKCNA3
SCHEMBL13494033 0.80 RBP4 (0.52) CKS1BSKP1SKP2RBP4TSHR
SCHEMBL10055230 0.78 CKS1B (0.51) CKS1BSKP1SKP2CTSKKCNA3
SCHEMBL16299243 0.78 CKS1B (0.51) CKS1BSKP1SKP2CTSKPDE10A
SCHEMBL29770982 0.76 CTSK (0.46) CKS1BSKP1SKP2CTSKPDE10A
SCHEMBL28779259 0.76 CTSK (0.46) CKS1BSKP1SKP2CTSKPDE10A
SCHEMBL18748413 0.76 CKS1B (0.49) CKS1BSKP1SKP2CTSKKCNA3
SCHEMBL5525405 0.76 CKS1B (0.49) CKS1BSKP1SKP2CTSKPDE10A

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
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed