SCHEMBL9114922

SCHEMBL9114922

OC[C@@H]1CC[C@H](n2cnc3c(O)ncnc32)S1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.38
▸ ADORA2B P29275 3/20 0.38
▸ AHCY P23526 2/20 0.38
▸ ADORA1 P30542 5/20 0.37
▸ ADORA3 P0DMS8 3/20 0.37
▸ ADA P00813 1/20 0.37
▸ PI4KA P42356 3/20 0.36
▸ PI4K2B Q8TCG2 3/20 0.36
▸ PI4K2A Q9BTU6 3/20 0.36
▸ PI4KB Q9UBF8 3/20 0.36
▸ YTHDC1 Q96MU7 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
SCHEMBL9114924 1.00 ADORA2A (0.38) ADORA2AADORA2BAHCYADORA1ADORA3
SCHEMBL9115023 0.86 ADORA2A (0.56) ADORA2AADORA2BAHCYADORA1ADORA3
SCHEMBL9115171 0.86 FGFR1 (0.38) ADORA2AADORA2BAHCYADORA1ADORA3
SCHEMBL9115027 0.86 ADORA2A (0.56) ADORA2AADORA2BAHCYADORA1ADORA3
SCHEMBL9115181 0.86 FGFR1 (0.38) ADORA2AADORA2BAHCYADORA1ADORA3
SCHEMBL9113289 0.83 YTHDC1 (0.59) ADORA2AAHCYADORA1ADORA3YTHDC1
SCHEMBL9114712 0.74 AHCY (0.54) ADORA2AADORA2BAHCYADORA3
SCHEMBL9114703 0.74 AHCY (0.54) ADORA2AADORA2BAHCYADORA3
SCHEMBL9115355 0.73 PDE4D (0.54) ADORA2AADORA1ADORA3
SCHEMBL9115366 0.73 PDE4D (0.54) ADORA2AADORA1ADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5478928-A Useful as antiviral agents in the treatment and prevention of AIDS SOUTHERN RESEARCH INSTITUTE (US) 1995-12-26 — — US claimed
WO-1995011685-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1995-05-04 — — WO claimed
US-5478928-A Useful as antiviral agents in the treatment and prevention of AIDS SOUTHERN RESEARCH INSTITUTE (US) 1995-12-26 — — US disclosed
WO-1995011685-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1995-05-04 — — WO disclosed
US-5128458-A 2',3'-dideoxy-4'-thioribonucleosides as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 1992-07-07 — — US disclosed
WO-1991016333-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-10-31 — — WO disclosed
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