SCHEMBL20327550

SCHEMBL20327550

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)CC2OP(=O)(O)OC[C@H]2O[C@@H](n3cc(F)c4c(N)ncnc43)[C@H](O)C2O[PH](=O)O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.52
▸ STING1 Q86WV6 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ RNASEL Q05823 9/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ NT5E P21589 1/20 0.46
▸ DTYMK P23919 2/20 0.43
▸ KRAS P01116 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
SCHEMBL21942777 0.90 RNASEL (0.55) RNASELTGM2
SCHEMBL20325280 0.89 FUT5 (0.52) FUT5STING1F2RNASELTGM2
SCHEMBL22399487 0.87 FUT5 (0.50) FUT5RNASEL
SCHEMBL21943904 0.86 FUT5 (0.52) FUT5RNASEL
SCHEMBL20325235 0.86 FUT5 (0.54) FUT5STING1F2RNASELTGM2
SCHEMBL21454979 0.85 FUT5 (0.55) FUT5F2RNASELTGM2NT5E
SCHEMBL21454748 0.85 FUT5 (0.55) FUT5F2RNASELTGM2NT5E
SCHEMBL20326944 0.84 FUT5 (0.48) FUT5STING1F2RNASELTGM2
SCHEMBL22399209 0.84 RNASEL (0.55) RNASEL
SCHEMBL22326689 0.83 FUT5 (0.66) FUT5RNASELTGM2NT5EDTYMK

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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