SCHEMBL8624065

SCHEMBL8624065

CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)nc(N)nc32)O[C@@H]1CO

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.66
ADORA2B P29275 6/20 0.66
ADORA3 P0DMS8 3/20 0.61
ADORA1 P30542 2/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 1/20 0.60
NT5E P21589 1/20 0.60
HIF1A Q16665 1/20 0.60

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
SCHEMBL30601881 1.00 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL21418866 1.00 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL29100475 1.00 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL30601880 1.00 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL8624075 1.00 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL1527211 0.91 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL1527213 0.91 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL12150807 0.91 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL12300482 0.91 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL12031300 0.91 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116814595-B Adenosine deaminase mutant and immobilization thereof 江苏申基生物科技有限公司 2023-11-28 CN disclosed
CN-116814595-A Adenosine deaminase mutant and immobilization thereof 江苏申基生物科技有限公司 2023-09-29 CN disclosed
US-5773603-A ADENOSINE DEAMINASE INHIBITOR NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
US-5705491-A Adenosine deaminase inhibitor NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1998-01-06 US disclosed
EP-0601322-A2 Adenosindeaminase inhibitor NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1994-06-15 EP disclosed
EP-0269574-B1 NOVEL ADENOSINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AS AN ACTIVE INGREDIENT NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1992-03-18 EP disclosed
US-4843066-A HYPOTENSIVE AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 US disclosed