SCHEMBL20324890

SCHEMBL20324890

N#Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)C(OP(=O)(O)OC[C@@H]3CC[C@H](n4cnc5c(=O)[nH]c(N)nc54)O3)[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.52
▸ RNASEL Q05823 9/20 0.50
▸ FUT5 Q11128 1/20 0.47
▸ P2RY2 P41231 1/20 0.47
▸ P2RY4 P51582 1/20 0.47
▸ P2RY6 Q15077 1/20 0.47
▸ TGM2 P21980 1/20 0.47

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
SCHEMBL20327583 1.00 STING1 (0.52) STING1RNASELFUT5P2RY2P2RY4
SCHEMBL20324735 0.90 RNASEL (0.62) RNASELP2RY2
SCHEMBL20325275 0.89 POLB (0.47) STING1FUT5P2RY2P2RY4P2RY6
SCHEMBL20324866 0.84 RNASEL (0.55) RNASEL
SCHEMBL20324732 0.83 P2RY2 (0.52) RNASELFUT5P2RY2P2RY4P2RY6
SCHEMBL22399211 0.83 RNASEL (0.54) STING1RNASELTGM2
SCHEMBL23061368 0.83 TAS1R3 (0.54) RNASELP2RY2
SCHEMBL22352118 0.83 TAS1R3 (0.54) RNASELP2RY2
SCHEMBL18520840 0.83 RNASEL (0.59) RNASELFUT5TGM2
SCHEMBL20763046 0.83 FUT5 (0.57) RNASELFUT5P2RY2P2RY4P2RY6

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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