SCHEMBL8620940

SCHEMBL8620940

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.64
ADORA2B P29275 7/20 0.64
RNASEL Q05823 1/20 0.61
ADORA3 P0DMS8 1/20 0.60
ADORA1 P30542 1/20 0.60
LMNA P02545 1/20 0.59
NT5E P21589 1/20 0.59
HIF1A Q16665 1/20 0.59

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
SCHEMBL8626875 0.92 ADORA2A (0.64) ADORA2AADORA2BRNASELADORA3ADORA1
SCHEMBL26646355 0.92 ADORA2A (0.64) ADORA2AADORA2BRNASELADORA3ADORA1
SCHEMBL8619503 0.91 ADORA2A (0.58) ADORA2AADORA2BRNASELADORA3ADORA1
SCHEMBL8624075 0.90 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL21418866 0.90 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL30601880 0.90 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL30601881 0.90 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL8624065 0.90 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL29100475 0.90 ADORA2A (0.66) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL8620961 0.89 ADORA2A (0.64) ADORA2AADORA2BADORA3ADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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