SCHEMBL8975008

SCHEMBL8975008

C[C@H]1O[C@@H](n2nc(Br)c3c(Cl)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADK P55263 19/20 0.63
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL8975523 0.85 ADK (0.74) ADK
SCHEMBL8975509 0.85 ADK (0.74) ADK
SCHEMBL8975520 0.83 ADK (0.75) ADK
SCHEMBL8331019 0.78 ADK (1.00) ADK
SCHEMBL8325888 0.78 ADK (1.00) ADK
SCHEMBL8332422 0.72 ADK (1.00) ADK
SCHEMBL6678245 0.72 ADK (1.00) ADK
SCHEMBL8332416 0.72 ADK (1.00) ADK
SCHEMBL8330319 0.72 ADK (1.00) ADK
SCHEMBL18642029 0.71 JAK2 (0.46) 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