SCHEMBL8975521

SCHEMBL8975521

O[C@@H]1[C@H](O)[C@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)O[C@@H]1CCl

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 20/20 0.85

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
SCHEMBL8332893 0.92 ADK (1.00) ADK
SCHEMBL8975714 0.90 ADK (0.85) ADK
SCHEMBL8320832 0.90 ADK (0.85) ADK
SCHEMBL8975204 0.90 ADK (1.00) ADK
SCHEMBL8326827 0.90 ADK (0.85) ADK
SCHEMBL8326917 0.90 ADK (1.00) ADK
SCHEMBL8524307 0.88 ADK (0.88) ADK
SCHEMBL8329018 0.88 ADK (0.88) ADK
SCHEMBL8328621 0.88 ADK (1.00) ADK
SCHEMBL8330336 0.87 ADK (0.89) 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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