SCHEMBL21158910

SCHEMBL21158910

CCCNc1c(N)cc(C(N)=O)cc1OC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.48
PDE4A P27815 9/20 0.47
PDE4B Q07343 9/20 0.47
PDE4C Q08493 9/20 0.47
KAT2B Q92831 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
TBK1 Q9UHD2 2/20 0.37
IKBKE Q14164 1/20 0.37
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
PRSS3 P35030 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL21158773 0.94 PDE4D (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL21158643 0.89 STING1 (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL21158931 0.84 PDE4D (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL28552449 0.79 PDE4D (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL21158926 0.79 SMN1; SMN2 (0.36)
SCHEMBL21158654 0.78 PARP15 (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL19437435 0.78 ALDH1A1 (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL21158909 0.78 IRAK4 (0.38) PDE4DPDE4APDE4BPDE4C
SCHEMBL21158729 0.76 TSHR (0.35)
SCHEMBL22121045 0.76 TSHR (0.43) PRSS1

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-2019134707-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed