SCHEMBL30727787

SCHEMBL30727787

COc1ncc(-n2cc3c(N4CCC(OCCN5CCCCC5)C4)ncnc3n2)c(OC)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.35
PDE3B Q13370 7/20 0.35
PDE3A Q14432 7/20 0.35
SIGMAR1 Q99720 2/20 0.35
NAMPT P43490 7/20 0.35
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
MERTK Q12866 1/20 0.32

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
SCHEMBL30727724 0.80 ABL1 (0.38) PDE10APDE3BPDE3ANAMPTPIK3CD
SCHEMBL30727657 0.78 NAMPT (0.35) NAMPTPIK3CDPIK3CA
SCHEMBL30727670 0.78 PDE10A (0.34) PDE10APDE3BPDE3ASIGMAR1PIK3CD
SCHEMBL30727610 0.77 MAPT (0.36) SIGMAR1NAMPT
SCHEMBL30727682 0.77 PIK3CD (0.39) PDE10APDE3BPDE3ASIGMAR1PIK3CD
SCHEMBL30727733 0.77 PDE10A (0.37) PDE10APDE3BPDE3ASIGMAR1TLR9
Hydrochloric Acid SCHEMBL30727642 0.77 MAPT (0.35) SIGMAR1NAMPT
SCHEMBL30727750 0.77 PDE10A (0.47) PDE10APDE3BPDE3A
SCHEMBL30727738 0.74 PIK3CA (0.35) NAMPTPIK3CDPIK3CA
SCHEMBL30727639 0.74 PIK3CA (0.35) NAMPTPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532495-A1 CD73 INHIBITOR COMPOUNDS Adorx therapeutics Limited (GB) 2025-04-09 EP disclosed
CN-119585273-A CD73 inhibitor compounds 阿道尔克斯治疗有限公司 2025-03-07 CN disclosed
WO-2023233130-A1 CD73 INHIBITOR COMPOUNDS AdoRx Therapeutics Limited (GB) 2023-12-07 WO disclosed