SCHEMBL14543484

SCHEMBL14543484

CNC(=O)C1SC(n2cnc3c(NCc4cccc(I)c4)nc(CI)nc32)C(O)C1O

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.81
▸ ADORA1 P30542 11/20 0.81
▸ ADORA2A P29274 8/20 0.81
▸ PPARD Q03181 4/20 0.81
▸ PPARG P37231 1/20 0.81

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
SCHEMBL14316095 0.91 ADORA3 (0.84) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL12264930 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL14316094 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL18675576 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL18675574 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL5369617 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL18675606 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL18675571 0.87 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL14543497 0.83 ADORA3 (0.73) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL14296857 0.83 ADORA3 (0.72) ADORA3ADORA1ADORA2APPARDPPARG

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-7199127-B2 Purine nucleosides UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-04-03 — — US disclosed
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