SCHEMBL30727675

SCHEMBL30727675

CC1(C)CCN(c2ncnc3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
FFAR2 O15552 1/20 0.36
JAK3 P52333 11/20 0.33
ENPP1 P22413 3/20 0.33
NAMPT P43490 1/20 0.31
METTL3 Q86U44 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL30727662 0.88 ENPP1 (0.35) MAPTKDM4CJAK3ENPP1NAMPT
SCHEMBL31399873 0.87 MAPT (0.34) MAPTKDM4CJAK3ENPP1NAMPT
SCHEMBL30727603 0.83 MAPT (0.36) MAPTKDM4C
SCHEMBL30727608 0.83 MAPT (0.33) MAPTKDM4C
SCHEMBL30727607 0.82 MAPT (0.34) MAPTKDM4C
SCHEMBL30727587 0.81 MAPT (0.34) MAPTKDM4CJAK3
SCHEMBL30727629 0.81 MAPT (0.34) MAPTKDM4CJAK3
SCHEMBL30727613 0.77 MAPT (0.38) MAPTKDM4CNAMPT
SCHEMBL30727567 0.77 NT5E (0.34) MAPTKDM4CNAMPT
SCHEMBL30727591 0.76 LRRK2 (0.35) MAPTKDM4CENPP1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119585273-A CD73 inhibitor compounds 阿道尔克斯治疗有限公司 2025-03-07 CN claimed
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