SCHEMBL22750581

SCHEMBL22750581

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(-c4c[nH]nn4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.69
▸ ADORA1 P30542 11/20 0.67
▸ ADORA2A P29274 9/20 0.67
▸ ADORA2B P29275 7/20 0.67

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
SCHEMBL22750642 0.97 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757514 0.97 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750648 0.86 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750534 0.86 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757513 0.86 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757494 0.85 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750530 0.85 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750602 0.84 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750502 0.82 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750477 0.80 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247546-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 — — WO disclosed
WO-2020247546-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 — — WO disclosed
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