SCHEMBL20326964

SCHEMBL20326964

Nc1nc2c(ncn2[C@H]2CC[C@@H](COP(=O)(O)O[C@H]3[C@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(O)(O)=S)O2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 10/20 0.48
▸ TGM2 P21980 1/20 0.46
▸ NT5E P21589 1/20 0.46

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
SCHEMBL20324525 0.92 TGM2 (0.47) TGM2NT5E
SCHEMBL20324534 0.89 STING1 (0.47) NT5E
SCHEMBL20326954 0.89 STING1 (0.47) NT5E
SCHEMBL20324735 0.88 RNASEL (0.62) RNASEL
SCHEMBL20324866 0.87 RNASEL (0.55) RNASEL
SCHEMBL20326932 0.87 STING1 (0.49) TGM2NT5E
SCHEMBL20324622 0.86 STING1 (0.43) NT5E
SCHEMBL22080515 0.86 RNASEL (0.56) RNASEL
SCHEMBL20327562 0.85 RNASEL (0.56) RNASEL
SCHEMBL22352203 0.85 RNASEL (0.59) RNASEL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020205323-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2020-10-08 — — WO disclosed
WO-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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