SCHEMBL8332449

SCHEMBL8332449

COc1ccc(-c2nn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc(Nc4ccc(F)cc4)c23)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 11/20 0.70
▸ ADORA1 P30542 1/20 0.59
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46

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
SCHEMBL8332073 1.00 ADK (0.70) ADKADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL8333393 0.93 ADK (0.79) ADK
SCHEMBL8975564 0.89 ADK (0.88) ADK
SCHEMBL8332958 0.87 ADK (0.70) ADK
SCHEMBL8975258 0.85 ADK (0.80) ADK
SCHEMBL8975175 0.84 ADK (0.68) ADK
SCHEMBL8330949 0.84 ADK (0.80) ADKADORA1
SCHEMBL8333662 0.82 ADK (0.67) ADK
SCHEMBL8328731 0.82 ADK (1.00) ADK
SCHEMBL8328727 0.82 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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