SCHEMBL20547879

SCHEMBL20547879

CO[C@@H]1[C@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1n1cnc2c(=O)n3cc[nH]c3nc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 7/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL20547765 0.91 STING1 (0.35) STING1ALDH1A1PDE3BPDE3A
SCHEMBL1582124 0.78 HINT1 (0.39) STING1
SCHEMBL20547866 0.77 STING1 (0.34) STING1
SCHEMBL20547882 0.75 STING1 (0.38) STING1ALDH1A1PDE3BPDE3AMEN1
SCHEMBL20548093 0.73 PDE5A (0.31) STING1
SCHEMBL20547587 0.73 MEN1 (0.48) MEN1KMT2A
SCHEMBL1582239 0.73 CDK5 (0.38) ALDH1A1PDE3AMEN1KMT2A
SCHEMBL20547506 0.72 STING1 (0.51) STING1PDE3BPDE3A
SCHEMBL20547719 0.72 STING1 (0.34) STING1
SCHEMBL12936680 0.72 STING1 (0.47) STING1

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-2018198084-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS WITH TRICYCLIC NUCLEOBASES LUPIN LIMITED (IN) 2018-11-01 — — WO disclosed
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