SCHEMBL8330882

SCHEMBL8330882

COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 19/20 0.83
▸ ADORA1 P30542 1/20 0.67

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
SCHEMBL8975763 0.97 ADK (0.83) ADKADORA1
SCHEMBL8330194 0.93 ADK (0.84) ADK
SCHEMBL8334551 0.92 ADK (0.82) ADK
SCHEMBL8330949 0.92 ADK (0.80) ADKADORA1
SCHEMBL8332893 0.91 ADK (1.00) ADK
SCHEMBL8975775 0.90 ADK (0.84) ADK
SCHEMBL8604872 0.90 ADK (1.00) ADK
SCHEMBL8604868 0.90 ADK (1.00) ADK
SCHEMBL8336484 0.89 ADK (0.82) ADKADORA1
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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