SCHEMBL6826790

SCHEMBL6826790

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRM P19623 4/20 0.59
▸ ADORA3 P0DMS8 2/20 0.57
▸ ADORA2A P29274 2/20 0.57
▸ DOT1L Q8TEK3 2/20 0.57
▸ PRMT7 Q9NVM4 1/20 0.57
▸ DNMT3B Q9UBC3 1/20 0.57
▸ SMS P52788 1/20 0.56
▸ AHCY P23526 3/20 0.56
▸ DPP4 P27487 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ SLC28A1 O00337 1/20 0.55
▸ MAP3K7 O43318 1/20 0.55
▸ SLC28A2 O43868 1/20 0.55
▸ GAPDH P04406 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ADORA2B P29275 1/20 0.55
▸ ADORA1 P30542 1/20 0.55
▸ STAT6 P42226 1/20 0.55
▸ PI4KA P42356 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL8385440 0.87 SRM (0.62) SRMADORA3ADORA2ADOT1LPRMT7
SCHEMBL4071842 0.84 SRM (0.59) SRMSMSADORA1SMN1; SMN2
SCHEMBL5418087 0.83 SRM (0.57) SRMSMSADORA1SMN1; SMN2
SCHEMBL226039 0.82 AHCY (0.63) ADORA3ADORA2ADOT1LAHCYDPP4
SCHEMBL15643454 0.81 PRMT5 (0.63) ADORA3ADORA2ADOT1LAHCYDPP4
SCHEMBL30211841 0.81 P2RY2 (0.59) AHCYADORA1SMN1; SMN2EHMT1
SCHEMBL29126399 0.81 P2RY2 (0.59) AHCYADORA1SMN1; SMN2EHMT1
SCHEMBL26692891 0.81 ADORA3 (0.59) SRMADORA3ADORA2ADOT1LPRMT7
SCHEMBL26692897 0.81 ADORA3 (0.59) SRMADORA3ADORA2ADOT1LPRMT7
SCHEMBL230821 0.81 EHMT1 (0.63) AHCYADORA1SMN1; SMN2EHMT1

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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