SCHEMBL30727686

SCHEMBL30727686

COc1ncc(-c2cc3c(N4CCC(OCc5ccccn5)C4)ncnc3s2)c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.42
PDE3B Q13370 9/20 0.42
PDE3A Q14432 9/20 0.42
EGFR P00533 1/20 0.41
KRAS P01116 1/20 0.39
PIK3CA P42336 1/20 0.38
LPL P06858 1/20 0.38
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PIK3CD O00329 1/20 0.37

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
SCHEMBL30727739 0.90 PIK3CA (0.41) PDE10APDE3BPDE3AKRASPIK3CA
SCHEMBL30727682 0.81 PIK3CD (0.39) PDE10APDE3BPDE3AKRASPIK3CA
SCHEMBL30727695 0.80 PIK3CD (0.38) PDE10APDE3BPDE3AEGFRKRAS
SCHEMBL30727616 0.78 LPL (0.40) PDE10APDE3BPDE3AEGFRKRAS
SCHEMBL30727651 0.77 PDE10A (0.46) PDE10APDE3BPDE3AKRASPIK3CA
Formic Acid SCHEMBL30727697 0.75 LPL (0.39) PDE10APDE3BPDE3AEGFRKRAS
SCHEMBL30727769 0.72 PIK3CA (0.39) KRASPIK3CAKDM4EALDH1A1MAPT
SCHEMBL30727745 0.72 KRAS (0.37) KRASPIK3CAKDM4EALDH1A1MAPK1
SCHEMBL30727669 0.69 KRAS (0.39) KRASPIK3CAKDM4EALDH1A1MAPT
SCHEMBL31399866 0.67 ALDH1A1 (0.42) KRASKDM4EALDH1A1MAPTMAPK1

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