SCHEMBL20327591

SCHEMBL20327591

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)CC2OP(=O)(O)OC[C@@H]2CC[C@H](n3ccc4c(Cl)ncnc43)O2)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.47
▸ P2RY2 P41231 1/20 0.45
▸ P2RY4 P51582 1/20 0.45
▸ P2RY6 Q15077 1/20 0.45
▸ STING1 Q86WV6 6/20 0.43
▸ F2 P00734 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ NT5E P21589 1/20 0.41
▸ RNASEL Q05823 2/20 0.41
▸ KRAS P01116 3/20 0.40

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
SCHEMBL20324895 0.91 FUT5 (0.49) FUT5P2RY2P2RY4P2RY6STING1
SCHEMBL22524136 0.87 FUT5 (0.49) FUT5P2RY2P2RY4P2RY6STING1
SCHEMBL20324732 0.86 P2RY2 (0.52) FUT5P2RY2P2RY4P2RY6F2
SCHEMBL20325225 0.86 RNASEL (0.47) STING1RNASEL
SCHEMBL20325230 0.84 STING1 (0.46) STING1RNASEL
SCHEMBL20327589 0.84 FUT5 (0.50) FUT5P2RY2P2RY4P2RY6F2
SCHEMBL20327546 0.83 STING1 (0.48) FUT5P2RY2P2RY4P2RY6STING1
SCHEMBL20327551 0.83 STING1 (0.48) FUT5P2RY2P2RY4P2RY6STING1
SCHEMBL20434907 0.83 FUT5 (0.47) FUT5P2RY2P2RY4P2RY6STING1
SCHEMBL20324898 0.83 STING1 (0.48) FUT5P2RY2P2RY4P2RY6STING1

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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