SCHEMBL20326944

SCHEMBL20326944

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.48
▸ STING1 Q86WV6 5/20 0.46
▸ F2 P00734 1/20 0.42
▸ TGM2 P21980 1/20 0.41
▸ RNASEL Q05823 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ DTYMK P23919 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TERT O14746 1/20 0.40
▸ P2RY2 P41231 1/20 0.39
▸ P2RY4 P51582 1/20 0.39
▸ P2RY6 Q15077 1/20 0.39
▸ KRAS P01116 1/20 0.39

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
SCHEMBL22524137 0.95 FUT5 (0.48) FUT5STING1F2TGM2RNASEL
SCHEMBL20324901 0.94 FUT5 (0.47) FUT5STING1F2TGM2RNASEL
SCHEMBL20324793 0.94 FUT5 (0.47) FUT5STING1F2TGM2RNASEL
SCHEMBL20324790 0.89 STING1 (0.45) FUT5STING1F2TGM2NT5E
SCHEMBL20324784 0.89 STING1 (0.45) FUT5STING1F2TGM2NT5E
SCHEMBL20327550 0.84 FUT5 (0.52) FUT5STING1F2TGM2RNASEL
SCHEMBL22083745 0.83 F2 (0.47) FUT5STING1F2POLB
SCHEMBL22326749 0.83 FUT5 (0.53) FUT5STING1TGM2RNASELNT5E
SCHEMBL20324791 0.82 POLB (0.47) FUT5STING1F2NT5EPOLB
SCHEMBL20327217 0.81 POLB (0.47) FUT5STING1F2NT5EDTYMK

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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