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Sugi Predict / Compounds / SCHEMBL20326983

SCHEMBL20326983

SCHEMBL20326983

Nc1nc2c(ncn2C2C[C@@H](F)[C@@H](COP(=O)(S)O[C@@]34C[C@H](n5cnc6c(N)ncnc65)O[C@]3(COP(=O)(O)S)C4)S2)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 18/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL20324745 0.85 STING1 (0.39) STING1POLB
SCHEMBL20324552 0.85 STING1 (0.39) STING1POLB
SCHEMBL20324550 0.82 POLB (0.48) STING1POLB
SCHEMBL20325253 0.80 NT5E (0.48) STING1POLB
SCHEMBL20324904 0.78 POLB (0.39) STING1POLB
SCHEMBL20326981 0.77 STING1 (0.43) STING1
SCHEMBL20327610 0.76 NT5E (0.48) STING1
SCHEMBL20326898 0.75 STING1 (0.42) STING1POLB
SCHEMBL20327529 0.73 POLB (0.44) STING1POLB
SCHEMBL20325266 0.73 STING1 (0.44) 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-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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