SCHEMBL16374082

SCHEMBL16374082

C#C[C@]1(O)C(n2cnc3c(N)ncnc32)O[C@](CF)(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 2/20 0.44
▸ STING1 Q86WV6 4/20 0.41
▸ AHCY P23526 4/20 0.40
▸ ADORA2A P29274 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ P2RY1 P47900 2/20 0.36
▸ DNPH1 O43598 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ TRPM2 O94759 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ P2RY2 P41231 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36

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
SCHEMBL16368193 1.00 FAP (0.44) FAPSTING1AHCYADORA2AADORA3
SCHEMBL25566020 0.95 FAP (0.42) FAPSTING1AHCYADORA2AADORA3
SCHEMBL19993729 0.94 FAP (0.45) FAPSTING1AHCYADORA2AADORA3
SCHEMBL16368204 0.94 FAP (0.45) FAPSTING1AHCYADORA2AADORA3
SCHEMBL16368274 0.91 FAP (0.47) FAPSTING1AHCYADORA2AADORA3
SCHEMBL17359578 0.91 FAP (0.47) FAPSTING1AHCYADORA2AADORA3
SCHEMBL16368080 0.90 FAP (0.33) FAPSTING1ADORA2ANT5E
SCHEMBL17359557 0.89 FAP (0.50) FAPSTING1AHCYADORA2AADORA3
SCHEMBL17358556 0.87 FAP (0.44) FAPSTING1AHCYADORA2AADORA3
SCHEMBL16647421 0.86 AHCY (0.38) AHCYADORA2AADORA3P2RY1DNPH1

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
WO-2014209979-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-12-31 — — WO disclosed
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