SCHEMBL20327545

SCHEMBL20327545

Nc1nc2c(ncn2[C@@H]2O[C@H](CO[PH](=O)O)C[C@H]2OP(=O)(S)OC[C@@H]2CC[C@H](n3cnc4c(N)ncnc43)O2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ STING1 Q86WV6 13/20 0.44
▸ F2 P00734 1/20 0.44
▸ NT5E P21589 1/20 0.43

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
SCHEMBL22083745 0.92 F2 (0.47) FUT5POLBSTING1F2
SCHEMBL25964517 0.92 P2RY1 (0.49) POLB
SCHEMBL20324706 0.92 STING1 (0.47) FUT5POLBSTING1F2NT5E
SCHEMBL20324836 0.92 STING1 (0.47) FUT5POLBSTING1F2NT5E
SCHEMBL23477825 0.92 POLB (0.48) POLBSTING1F2
SCHEMBL20324889 0.91 STING1 (0.47) FUT5STING1
SCHEMBL29331766 0.86 DTYMK (0.41) POLB
SCHEMBL22524118 0.85 STING1 (0.48) FUT5POLBSTING1F2NT5E
SCHEMBL22434567 0.84 POLB (0.51) POLBSTING1F2
SCHEMBL20326935 0.84 POLB (0.51) POLBSTING1F2

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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