SCHEMBL22757451

SCHEMBL22757451

CNC(=O)[C@@]1(C)C[C@@H](n2cnc3c(NCC(F)F)nc(-c4c[nH]nn4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.41
▸ ADORA1 P30542 15/20 0.41
▸ ADORA2A P29274 6/20 0.41
▸ TMIGD3 P0DMS9 3/20 0.40
▸ HSP90B1 P14625 1/20 0.37
▸ ADORA2B P29275 1/20 0.36

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
SCHEMBL22750522 0.86 ADORA3 (0.57) ADORA3ADORA1ADORA2ATMIGD3HSP90B1
SCHEMBL22757475 0.82 ADORA3 (0.40) ADORA3ADORA1ADORA2ATMIGD3HSP90B1
SCHEMBL22750530 0.79 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757494 0.79 ADORA3 (0.58) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757426 0.77 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757515 0.77 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757320 0.76 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750565 0.74 PGK1 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL25566681 0.73 ADORA3 (0.71) ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL22757435 0.72 SLC29A1 (0.42) 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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