SCHEMBL6233905

SCHEMBL6233905

CN(C)Cc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 20/20 0.82

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
SCHEMBL6242332 0.93 ADK (0.78) ADK
SCHEMBL6233817 0.92 ADK (0.80) ADK
SCHEMBL8330560 0.91 ADK (0.84) ADK
SCHEMBL8332893 0.90 ADK (1.00) ADK
SCHEMBL6237113 0.90 ADK (0.84) ADK
SCHEMBL6235848 0.88 ADK (0.82) ADK
SCHEMBL6241451 0.88 ADK (0.75) ADK
SCHEMBL8329018 0.88 ADK (0.88) ADK
SCHEMBL8332519 0.88 ADK (1.00) ADK
SCHEMBL8330882 0.87 ADK (0.83) 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 3 patents. 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
EP-0836613-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-22 — — EP disclosed
WO-1996040707-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 — — WO disclosed
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