SCHEMBL8975775

SCHEMBL8975775

COc1ccc(-c2cn([C@@H]3O[C@H](CN)[C@H](O)[C@@H]3O)c3ncnc(Nc4ccccc4)c23)cc1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 20/20 0.84

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
SCHEMBL8330194 0.97 ADK (0.84) ADK
SCHEMBL8975763 0.93 ADK (0.83) ADK
SCHEMBL8975204 0.91 ADK (1.00) ADK
SCHEMBL8326917 0.91 ADK (1.00) ADK
SCHEMBL8330882 0.90 ADK (0.83) ADK
SCHEMBL8975105 0.89 ADK (0.88) ADK
SCHEMBL8897235 0.88 ADK (0.93) ADK
SCHEMBL8328653 0.88 ADK (0.93) ADK
SCHEMBL8975317 0.86 ADK (0.82) ADK
SCHEMBL8331836 0.85 ADK (0.88) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 — — US disclosed
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