SCHEMBL8329018

SCHEMBL8329018

OC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(Cl)cc4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 19/20 0.88

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
SCHEMBL8524307 0.96 ADK (0.88) ADK
SCHEMBL8332893 0.93 ADK (1.00) ADK
SCHEMBL8331836 0.93 ADK (0.88) ADK
SCHEMBL8331835 0.93 ADK (0.88) ADK
SCHEMBL8332519 0.91 ADK (1.00) ADK
SCHEMBL8328624 0.90 ADK (0.80) ADK
SCHEMBL8330336 0.90 ADK (0.89) ADK
SCHEMBL6237113 0.89 ADK (0.84) ADK
SCHEMBL8975105 0.89 ADK (0.88) ADK
SCHEMBL8330560 0.89 ADK (0.84) 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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