SCHEMBL30278221

SCHEMBL30278221

COc1cc(N)c(C(N)=O)cc1O[C@H]1CCOC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.54
PDE4A P27815 9/20 0.54
PDE4B Q07343 9/20 0.54
PDE4C Q08493 9/20 0.54
KDM4E B2RXH2 1/20 0.44
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42

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
SCHEMBL24735664 1.00 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL28868070 0.90 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL28868065 0.90 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL29940033 0.89 KDM4E (0.61) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL24735855 0.89 KDM4E (0.61) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL24735678 0.89 KDM4E (0.61) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL28945888 0.86 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL24735741 0.84 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CJAK2
SCHEMBL24735740 0.84 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CJAK2
SCHEMBL30278269 0.84 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CJAK2

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-2022258057-A1 COMPOUNDS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-12-15 WO disclosed