SCHEMBL8619503

SCHEMBL8619503

CO[C@@H]1[C@H](OC)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(C)nc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.58
ADORA2B P29275 6/20 0.58
RNASEL Q05823 1/20 0.55
ADORA3 P0DMS8 1/20 0.54
ADORA1 P30542 1/20 0.54
LMNA P02545 1/20 0.53
NT5E P21589 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL8620940 0.91 ADORA2A (0.64) ADORA2AADORA2BRNASELADORA3ADORA1
SCHEMBL26646355 0.91 ADORA2A (0.64) ADORA2AADORA2BRNASELADORA3ADORA1
SCHEMBL8626875 0.91 ADORA2A (0.64) ADORA2AADORA2BRNASELADORA3ADORA1
SCHEMBL9413266 0.85 ADORA3 (0.56) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8672670 0.84 ADORA3 (0.67) ADORA2AADORA2BADORA3ADORA1HIF1A
SCHEMBL8621803 0.84 ADORA3 (0.67) ADORA2AADORA2BADORA3ADORA1HIF1A
SCHEMBL20870832 0.84 ADORA3 (0.67) ADORA2AADORA2BADORA3ADORA1HIF1A
SCHEMBL8621751 0.83 ADORA2A (0.64) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL8621759 0.83 ADORA2A (0.64) ADORA2AADORA2BADORA3ADORA1LMNA
2-Methyladenosine SCHEMBL13403859 0.83 LMNA (0.75) 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 3 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