SCHEMBL8975172

SCHEMBL8975172

C[C@H]1O[C@@H](n2nc(-c3ccccc3)c3c(NCc4ccccn4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 20/20 0.66

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
SCHEMBL8974980 0.89 ADK (0.71) ADK
SCHEMBL8975769 0.88 ADK (0.66) ADK
SCHEMBL8975693 0.85 ADK (0.63) ADK
SCHEMBL8975449 0.82 ADK (0.75) ADK
SCHEMBL8975662 0.79 ADK (0.60) ADK
SCHEMBL6681873 0.78 ADK (0.69) ADK
SCHEMBL8975871 0.78 ADK (0.69) ADK
SCHEMBL8975864 0.78 ADK (0.69) ADK
SCHEMBL6682066 0.78 ADK (0.69) ADK
SCHEMBL8975321 0.78 ADK (0.63) 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
Send feedback