SCHEMBL21158773

SCHEMBL21158773

CCCNc1c(N)cc(C(N)=O)cc1OC1CCOC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.50
PDE4A P27815 10/20 0.50
PDE4B Q07343 10/20 0.50
PDE4C Q08493 10/20 0.50
MAPK8 P45983 1/20 0.40
MAPK9 P45984 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
SCHEMBL21158910 0.94 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL21158643 0.91 STING1 (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL28552449 0.86 PDE4D (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL21158931 0.82 PDE4D (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL28628145 0.81 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CMAPK8
SCHEMBL28628148 0.81 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CMAPK8
SCHEMBL21158117 0.79 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CMAPK8
SCHEMBL21158909 0.78 IRAK4 (0.38) PDE4DPDE4APDE4BPDE4C
SCHEMBL28912725 0.78 MAPT (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL21158926 0.77 SMN1; SMN2 (0.36)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed
WO-2019134707-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed