SCHEMBL14543497

SCHEMBL14543497

CNC(=O)C1SC(n2cnc3c(NC)nc(CI)nc32)C(O)C1O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.73
▸ ADORA1 P30542 16/20 0.73
▸ ADORA2A P29274 10/20 0.73
▸ PPARD Q03181 2/20 0.55
▸ PPARG P37231 1/20 0.55

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
SCHEMBL935019 0.85 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL6426666 0.85 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL14543484 0.83 ADORA3 (0.81) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL18675356 0.81 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARD
SCHEMBL18675357 0.74 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL5363976 0.74 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL5365876 0.74 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL5363985 0.74 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL14518673 0.74 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARDPPARG
SCHEMBL18675656 0.73 ADORA3 (0.96) ADORA3ADORA1ADORA2A

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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