SCHEMBL22757413

SCHEMBL22757413

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(F)F)nc(-c4nn[nH]c4C)nc32)C[C@@H]1OC(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.38
▸ ADORA1 P30542 11/20 0.38
▸ ADORA2A P29274 9/20 0.38
▸ ADORA2B P29275 7/20 0.38
▸ P2RY1 P47900 1/20 0.34

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
SCHEMBL22750606 0.81 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757412 0.80 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757471 0.71 ADORA3 (0.41) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757494 0.68 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750530 0.68 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601252 0.68 ADORA3 (0.45) ADORA3ADORA1ADORA2A
SCHEMBL22757515 0.67 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757426 0.67 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757320 0.66 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757470 0.64 ADORA1 (0.41) 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
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