SCHEMBL22757409

SCHEMBL22757409

CCCNc1nc(-n2cc(C3CC3)nn2)nc2c1ncn2C1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.65
▸ ADORA1 P30542 16/20 0.65
▸ ADORA2B P29275 6/20 0.65
▸ ADORA2A P29274 5/20 0.55
▸ 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
SCHEMBL22750571 1.00 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757463 0.91 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750513 0.91 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757510 0.90 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750595 0.90 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757329 0.90 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750560 0.86 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757448 0.86 ADORA3 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757459 0.86 ADORA1 (0.65) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757374 0.86 ADORA3 (0.77) 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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