SCHEMBL8331313

SCHEMBL8331313

OC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccn4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 18/20 0.81

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
SCHEMBL8332893 0.89 ADK (1.00) ADK
SCHEMBL8330336 0.88 ADK (0.89) ADK
SCHEMBL8334517 0.88 ADK (0.80) ADK
SCHEMBL8334521 0.88 ADK (0.80) ADK
SCHEMBL8324044 0.88 ADK (0.80) ADK
SCHEMBL17800859 0.86 ADK (0.80) ADK
SCHEMBL8333496 0.86 ADK (0.71) ADK
SCHEMBL8333099 0.85 ADK (0.84) ADK
SCHEMBL8329018 0.85 ADK (0.88) ADK
SCHEMBL8332519 0.85 ADK (1.00) ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684953-A4 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES. GENSIA INC (US) 1999-12-22 — — EP disclosed
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 — — US disclosed
EP-0684953-A1 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES GENSIA, INC. (US) 1995-12-06 — — EP disclosed
WO-1994018215-A1 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES GENSIA, INC. (US) 1994-08-18 — — WO disclosed
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