SCHEMBL20324895

SCHEMBL20324895

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.49
▸ P2RY2 P41231 1/20 0.47
▸ P2RY4 P51582 1/20 0.47
▸ P2RY6 Q15077 1/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ STING1 Q86WV6 5/20 0.46
▸ F2 P00734 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TAS1R3 Q7RTX0 2/20 0.44
▸ TAS1R1 Q7RTX1 2/20 0.44
▸ NT5E P21589 1/20 0.43
▸ RNASEL Q05823 2/20 0.43
▸ IMPDH2 P12268 1/20 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
SCHEMBL20327591 0.91 FUT5 (0.47) FUT5P2RY2P2RY4P2RY6TGM2
SCHEMBL20325247 0.89 FUT5 (0.50) FUT5P2RY2P2RY4P2RY6TGM2
SCHEMBL20325243 0.84 FUT5 (0.53) FUT5P2RY2P2RY4P2RY6TGM2
SCHEMBL20324586 0.84 RNASEL (0.60) P2RY2P2RY4P2RY6RNASEL
SCHEMBL20434907 0.83 FUT5 (0.47) FUT5P2RY2P2RY4P2RY6TGM2
SCHEMBL22326749 0.83 FUT5 (0.53) FUT5TGM2STING1NT5ERNASEL
SCHEMBL2922052 0.82 POLB (0.61) FUT5P2RY2P2RY4P2RY6TGM2
SCHEMBL20442307 0.82 POLB (0.61) FUT5P2RY2P2RY4P2RY6TGM2
SCHEMBL20325245 0.82 STING1 (0.54) FUT5TGM2STING1POLBNT5E
SCHEMBL20324732 0.81 P2RY2 (0.52) FUT5P2RY2P2RY4P2RY6TGM2

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-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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
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