SCHEMBL14518677

SCHEMBL14518677

CNC(=O)C1SC(n2cnc3c(NC)nc(Cl)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.66
▸ ADORA1 P30542 11/20 0.66
▸ ADORA2A P29274 9/20 0.66
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47

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
SCHEMBL5365273 1.00 ADORA3 (0.66) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14518674 0.91 ADORA3 (0.56) ADORA3ADORA1ADORA2A
SCHEMBL14518672 0.89 ADORA3 (0.66) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5359756 0.84 ADORA3 (0.52) ADORA3ADORA1ADORA2A
SCHEMBL5359757 0.84 ADORA3 (0.52) ADORA3ADORA1ADORA2A
SCHEMBL14518680 0.83 ADORA3 (0.73) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5364017 0.83 ADORA3 (0.73) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL6426666 0.80 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL935019 0.80 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14518669 0.79 ADORA3 (0.55) 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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