SCHEMBL22757434

SCHEMBL22757434

CCCNc1cc(-c2c[nH]nn2)nc2c1ncn2C1O[C@@H](C(=O)NC)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.61
▸ ADORA1 P30542 12/20 0.61
▸ ADORA2B P29275 7/20 0.61
▸ ADORA2A P29274 6/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ TMIGD3 P0DMS9 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ HSP90B1 P14625 1/20 0.48
▸ AHCY P23526 1/20 0.48

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
SCHEMBL22750593 1.00 ADORA3 (0.61) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757502 0.87 ADORA3 (0.45) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22750648 0.86 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757430 0.85 ADORA1 (0.42) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757418 0.82 ADORA3 (0.39) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22750534 0.78 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757494 0.77 ADORA3 (0.58) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL22750530 0.77 ADORA3 (0.58) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL22750602 0.76 ADORA3 (0.55) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL22750581 0.75 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2A

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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