SCHEMBL14518669

SCHEMBL14518669

COC(=O)C1SC(n2cnc3c(N)nc(Cl)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.55
▸ ADORA2A P29274 2/20 0.55
▸ ADORA1 P30542 2/20 0.55
▸ CHKA P35790 7/20 0.42
▸ NT5E P21589 2/20 0.41
▸ CHKB Q9Y259 2/20 0.40
▸ HSP90B1 P14625 1/20 0.40

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
SCHEMBL5363882 0.91 ADORA3 (0.54) ADORA3ADORA2AADORA1CHKANT5E
SCHEMBL14518672 0.90 ADORA3 (0.66) ADORA3ADORA2AADORA1CHKAHSP90B1
SCHEMBL14518674 0.88 ADORA3 (0.56) ADORA3ADORA2AADORA1
SCHEMBL14543436 0.88 ADORA3 (0.48) ADORA3ADORA2AADORA1CHKANT5E
SCHEMBL5363887 0.83 ADORA3 (0.48) ADORA3ADORA2AADORA1CHKANT5E
SCHEMBL5372681 0.82 ADORA3 (0.48) ADORA3ADORA2AADORA1NT5EHSP90B1
SCHEMBL5369682 0.82 ADORA3 (0.48) ADORA3ADORA2AADORA1NT5EHSP90B1
SCHEMBL5367251 0.80 ADORA3 (0.45) ADORA3ADORA2AADORA1CHKANT5E
SCHEMBL5365273 0.79 ADORA3 (0.66) ADORA3ADORA2AADORA1
SCHEMBL14518677 0.79 ADORA3 (0.66) ADORA3ADORA2AADORA1

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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