SCHEMBL22757350

SCHEMBL22757350

C#Cc1nc(NCC(F)F)c2ncn([C@H]3[C@@H]4OC(C)(C)O[C@@H]4[C@]4(C(=O)NC)C#C[C@H]34)c2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.41
▸ ADORA1 P30542 5/20 0.41
▸ ADORA2A P29274 5/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL22750600 0.77 ADORA3 (0.48) ADORA3ADORA1ADORA2ASLC6A2
SCHEMBL22757352 0.76 ADORA3 (0.54) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL22757377 0.73 ADORA3 (0.58) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL22757421 0.73 ADORA3 (0.55) ADORA3ADORA1ADORA2A
SCHEMBL22757475 0.70 ADORA3 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL22757470 0.69 ADORA1 (0.41) ADORA3ADORA1ADORA2ASLC6A2
SCHEMBL22757323 0.69 ADORA1 (0.47) ADORA3ADORA1ADORA2ASLC6A2
SCHEMBL22757354 0.68 ADORA1 (0.48) ADORA3ADORA1ADORA2ASLC6A2
SCHEMBL29573875 0.68 HRH2 (0.53) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL29574073 0.67 HTR2B (0.51) ADORA3ADORA1ADORA2AHRH2HTR5A

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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