SCHEMBL22757374

SCHEMBL22757374

CCCNc1nc(-n2cc(Cc3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.77
▸ ADORA1 P30542 16/20 0.77
▸ ADORA2B P29275 8/20 0.63
▸ ADORA2A P29274 6/20 0.62
▸ ADRA2A P08913 1/20 0.55
▸ TMIGD3 P0DMS9 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55

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
SCHEMBL22757447 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22750605 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22750479 0.89 ADORA3 (0.72) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757483 0.89 ADORA3 (0.72) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757396 0.88 ADORA3 (0.70) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750504 0.88 ADORA3 (0.70) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750598 0.87 ADORA1 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757459 0.87 ADORA1 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22750505 0.86 ADORA3 (0.77) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757409 0.86 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A

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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