SCHEMBL20324901

SCHEMBL20324901

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)S)CC2OP(=O)(O)OC[C@@H]2CC[C@H](n3cc(F)c4c(N)ncnc43)O2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.47
▸ STING1 Q86WV6 5/20 0.45
▸ TGM2 P21980 1/20 0.41
▸ RNASEL Q05823 1/20 0.41
▸ TERT O14746 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ DTYMK P23919 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ P2RY4 P51582 1/20 0.39
▸ P2RY6 Q15077 1/20 0.39
▸ KRAS P01116 1/20 0.38

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
SCHEMBL20324793 1.00 FUT5 (0.47) FUT5STING1TGM2RNASELTERT
SCHEMBL20324784 0.95 STING1 (0.45) FUT5STING1TGM2NT5EDTYMK
SCHEMBL20324790 0.95 STING1 (0.45) FUT5STING1TGM2NT5EDTYMK
SCHEMBL20326944 0.94 FUT5 (0.48) FUT5STING1TGM2RNASELTERT
SCHEMBL22524137 0.94 FUT5 (0.48) FUT5STING1TGM2RNASELTERT
SCHEMBL20327217 0.87 POLB (0.47) FUT5STING1TERTNT5EDTYMK
SCHEMBL20326986 0.86 STING1 (0.44) FUT5STING1TGM2RNASELNT5E
SCHEMBL20325359 0.85 FUT5 (0.51) FUT5STING1TGM2DTYMK
SCHEMBL20324791 0.84 POLB (0.47) FUT5STING1TERTNT5EPOLB
SCHEMBL20324898 0.82 STING1 (0.48) FUT5STING1TGM2NT5EPOLB

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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