SCHEMBL22757482

SCHEMBL22757482

CNC(=O)[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NCc4cc(C)no4)nc(-n4ccnn4)nc32)O1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.49
▸ ADORA1 P30542 7/20 0.49
▸ ADORA2A P29274 2/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL22750511 0.87 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2BNPC1
SCHEMBL22757398 0.85 ADORA3 (0.49) ADORA3ADORA1
SCHEMBL22757460 0.85 ADORA3 (0.46) ADORA3ADORA1ADORA2A
SCHEMBL22757393 0.85 ADORA3 (0.44) ADORA3ADORA1ADORA2A
SCHEMBL22757318 0.82 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757481 0.81 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757429 0.80 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2BNPC1
SCHEMBL22757314 0.74 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757411 0.74 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BNPC1
SCHEMBL22757371 0.72 ADORA3 (0.54) 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 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
Send feedback