SCHEMBL30727682

SCHEMBL30727682

COc1ncc(-c2cc3c(N4CCC(OCCN5CCCCC5)C4)ncnc3s2)c(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.39
PIK3CA P42336 9/20 0.38
KRAS P01116 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL30727745 0.86 KRAS (0.37) PIK3CDPIK3CAKRASKDM4EALDH1A1
SCHEMBL30727720 0.84 PIK3CD (0.36) PIK3CDPIK3CA
SCHEMBL30727670 0.83 PDE10A (0.34) PIK3CDPDE3BPDE3APDE10ASIGMAR1
SCHEMBL30727739 0.83 PIK3CA (0.41) PIK3CDPIK3CAKRASPDE3BPDE3A
SCHEMBL30727733 0.83 PDE10A (0.37) PDE3BPDE3APDE10ASIGMAR1
SCHEMBL30727695 0.82 PIK3CD (0.38) PIK3CDPIK3CAKRASPDE3BPDE3A
SCHEMBL30727686 0.81 PDE10A (0.42) PIK3CDPIK3CAKRASPDE3BPDE3A
SCHEMBL30727729 0.78 KIT (0.36)
SCHEMBL30727674 0.78 MEN1 (0.45) PIK3CDKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL30727787 0.77 PDE10A (0.35) PIK3CDPIK3CAPDE3BPDE3APDE10A

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