Sugi Predict

Sugi Predict / Compounds / SCHEMBL20324586

SCHEMBL20324586

SCHEMBL20324586

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2OP(=O)(O)OC[C@@H]2C[C@@H](O)[C@H](n3ccc4c(N)ncnc43)O2)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 12/20 0.60
▸ P2RY2 P41231 1/20 0.54
▸ P2RY4 P51582 1/20 0.54
▸ P2RY6 Q15077 1/20 0.54

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
SCHEMBL19186042 0.92 RNASEL (0.69) RNASEL
SCHEMBL18937290 0.92 RNASEL (0.69) RNASEL
SCHEMBL21362202 0.89 RNASEL (0.60) RNASEL
SCHEMBL18510897 0.88 RNASEL (0.64) RNASEL
SCHEMBL18521093 0.88 RNASEL (0.64) RNASEL
SCHEMBL18520839 0.88 RNASEL (0.64) RNASEL
SCHEMBL18521212 0.88 RNASEL (0.64) RNASEL
SCHEMBL18521658 0.88 P2RY2 (0.60) RNASELP2RY2P2RY4P2RY6
SCHEMBL18520830 0.88 P2RY2 (0.60) RNASELP2RY2P2RY4P2RY6
SCHEMBL18510888 0.88 P2RY2 (0.60) RNASELP2RY2P2RY4P2RY6

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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