SCHEMBL20324561

SCHEMBL20324561

Nc1ncnn2c([C@H]3CC[C@@H](COP(O)(O)=S)O3)cnc12

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.31
▸ ENPP1 P22413 1/20 0.30

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
SCHEMBL21637014 0.90 DNPH1 (0.38) —
SCHEMBL20324789 0.88 STING1 (0.31) STING1
SCHEMBL20325339 0.88 POLB (0.31) STING1
SCHEMBL15289753 0.83 CYP2A6 (0.37) STING1
SCHEMBL26195756 0.83 CYP2A6 (0.37) STING1
SCHEMBL18520482 0.83 CYP2A6 (0.37) STING1
SCHEMBL24160862 0.78 HRH4 (0.49) —
SCHEMBL20327226 0.75 STING1 (0.35) STING1
SCHEMBL22355531 0.73 POLRMT (0.43) —
SCHEMBL24340458 0.73 POLRMT (0.43) —

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-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — 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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