SCHEMBL20548247

SCHEMBL20548247

Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)n6cc[nH]c6nc54)O[C@@H]3COP(=O)(S)O[C@H]2[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 16/20 0.65
▸ LMNA P02545 2/20 0.60
▸ RAPGEF3 O95398 2/20 0.60
▸ GMNN O75496 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ RAPGEF4 Q8WZA2 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.59

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
SCHEMBL20548164 0.95 STING1 (0.69) STING1
SCHEMBL20547864 0.94 STING1 (0.68) STING1LMNARAPGEF3GMNNBLM
SCHEMBL21263932 0.93 STING1 (0.58) STING1LMNARAPGEF3GMNNBLM
SCHEMBL23610241 0.91 STING1 (0.69) STING1
SCHEMBL25808076 0.91 STING1 (0.69) STING1
SCHEMBL30473305 0.91 STING1 (0.69) STING1
SCHEMBL20548081 0.91 STING1 (0.69) STING1
SCHEMBL20547753 0.91 STING1 (0.60) STING1
SCHEMBL20547505 0.90 STING1 (0.63) STING1
SCHEMBL20547710 0.89 STING1 (0.59) 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 claimed
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