SCHEMBL22757459

SCHEMBL22757459

CCCNc1nc(-n2cc(CCOC)nn2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 20/20 0.65
▸ ADORA3 P0DMS8 19/20 0.65
▸ ADORA2B P29275 7/20 0.63
▸ ADORA2A P29274 6/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ TMIGD3 P0DMS9 1/20 0.53
▸ ADRA2B P18089 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A4 P31645 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
SCHEMBL22750598 1.00 ADORA1 (0.65) ADORA1ADORA3ADORA2BADORA2AADRA2A
SCHEMBL22757400 0.90 ADORA3 (0.60) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL22750526 0.90 ADORA3 (0.60) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL22750672 0.89 ADORA3 (0.59) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL22757390 0.88 ADORA3 (0.53) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL22757449 0.88 ADORA3 (0.53) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL22757447 0.87 ADORA3 (0.77) ADORA1ADORA3ADORA2BADORA2AADRA2A
SCHEMBL22757374 0.87 ADORA3 (0.77) ADORA1ADORA3ADORA2BADORA2AADRA2A
SCHEMBL22750605 0.87 ADORA3 (0.77) ADORA1ADORA3ADORA2BADORA2AADRA2A
SCHEMBL22750571 0.86 ADORA3 (0.65) ADORA1ADORA3ADORA2BADORA2AADRA2A

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 1 patent. 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
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