SCHEMBL20547870

SCHEMBL20547870

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

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 17/20 0.73
▸ LMNA P02545 2/20 0.66
▸ GMNN O75496 1/20 0.66
▸ RAPGEF3 O95398 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ RAPGEF4 Q8WZA2 1/20 0.66

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
SCHEMBL20548018 0.94 STING1 (0.73) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL20548164 0.93 STING1 (0.69) STING1
SCHEMBL20547864 0.90 STING1 (0.68) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL20548247 0.87 STING1 (0.65) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL23477343 0.85 STING1 (1.00) STING1
SCHEMBL29881479 0.85 STING1 (1.00) STING1
SCHEMBL18510622 0.85 STING1 (1.00) STING1
SCHEMBL18490536 0.85 STING1 (1.00) STING1
SCHEMBL30849559 0.85 STING1 (1.00) STING1
SCHEMBL20548081 0.85 STING1 (0.69) 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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