SCHEMBL8330949

SCHEMBL8330949

COc1ccc(-c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc(Nc4ccc(F)cc4)c23)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 17/20 0.80
▸ ADORA1 P30542 1/20 0.65

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
SCHEMBL8523697 0.93 ADK (0.91) ADK
SCHEMBL8975763 0.92 ADK (0.83) ADKADORA1
SCHEMBL8330882 0.92 ADK (0.83) ADKADORA1
SCHEMBL8331847 0.90 ADK (0.88) ADK
SCHEMBL8331850 0.90 ADK (0.88) ADK
SCHEMBL8336484 0.90 ADK (0.82) ADKADORA1
SCHEMBL8332519 0.89 ADK (1.00) ADK
SCHEMBL8332137 0.87 ADK (0.80) ADK
SCHEMBL8330490 0.87 ADK (0.80) ADK
SCHEMBL8332979 0.86 ADK (0.80) 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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