SCHEMBL6824231

SCHEMBL6824231

COC([C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 10/20 0.60
▸ ADORA3 P0DMS8 3/20 0.58
▸ ADORA2B P29275 3/20 0.58
▸ ADORA2A P29274 2/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ SLC28A1 O00337 1/20 0.56
▸ MAP3K7 O43318 1/20 0.56
▸ SLC28A2 O43868 1/20 0.56
▸ GAPDH P04406 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ADORA1 P30542 1/20 0.56
▸ STAT6 P42226 1/20 0.56
▸ PI4KA P42356 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ PI4K2B Q8TCG2 1/20 0.56
▸ DOT1L Q8TEK3 1/20 0.56
▸ SLC29A1 Q99808 1/20 0.56
▸ PI4K2A Q9BTU6 1/20 0.56

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
SCHEMBL7735071 0.89 AHCY (0.58) AHCYADORA3ADORA2BADORA2ADPP4
SCHEMBL226039 0.86 AHCY (0.63) AHCYADORA3ADORA2BADORA2ADPP4
SCHEMBL15643454 0.85 PRMT5 (0.63) AHCYADORA3ADORA2BADORA2ADPP4
SCHEMBL397800 0.83 AHCY (0.68) AHCYADORA3ADORA2BADORA2ADPP4
SCHEMBL31680251 0.83 AHCY (0.68) AHCYADORA3ADORA2BADORA2ADPP4
SCHEMBL11134096 0.82 AHCY (0.64) AHCYADORA3ADORA2BADORA2ADPP4
SCHEMBL18520788 0.82 PRMT5 (0.64) AHCYADORA3ADORA2BADORA2ADPP4
SCHEMBL21413837 0.82 PRMT5 (0.64) AHCYADORA3ADORA2BADORA2ADPP4
SCHEMBL13173634 0.82 PRMT5 (0.64) AHCYADORA3ADORA2BADORA2ADPP4
SCHEMBL22326785 0.82 PRMT5 (0.64) AHCYADORA3ADORA2BADORA2ADPP4

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
US-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 — — US claimed
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