SCHEMBL6236893

SCHEMBL6236893

C[C@H]1O[C@@H](n2cc(-c3ccc(CN(C)C)cc3)c3c(Nc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O

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
SCHEMBL6233817 0.92 ADK (0.80) ADK
SCHEMBL8975148 0.91 ADK (1.00) ADK
SCHEMBL8603415 0.87 ADK (1.00) ADK
SCHEMBL2035311 0.87 ADK (1.00) ADK
SCHEMBL8603413 0.87 ADK (1.00) ADK
SCHEMBL6683894 0.86 ADK (0.79) ADK
SCHEMBL8331850 0.86 ADK (0.88) ADK
SCHEMBL8331847 0.86 ADK (0.88) ADK
SCHEMBL6240116 0.84 ADK (0.77) ADK
SCHEMBL8523697 0.83 ADK (0.91) 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
EP-0836613-B1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2005-05-25 — — EP disclosed
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