SCHEMBL20324893

SCHEMBL20324893

Nc1nc2c(ncn2[C@H]2C[C@H](F)[C@@H](COP(=O)(S)OC3C[C@H](n4cc(F)c5c(N)ncnc54)O[C@@H]3COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ STING1 Q86WV6 4/20 0.45
▸ TERT O14746 1/20 0.44
▸ FUT5 Q11128 1/20 0.43
▸ P2RY2 P41231 1/20 0.43
▸ P2RY4 P51582 1/20 0.43
▸ P2RY6 Q15077 1/20 0.43
▸ NT5E P21589 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ F2 P00734 1/20 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
SCHEMBL20324900 0.97 POLB (0.49) POLBSTING1TERTFUT5P2RY2
SCHEMBL20326982 0.97 POLB (0.49) POLBSTING1TERTFUT5P2RY2
SCHEMBL20327217 0.93 POLB (0.47) POLBSTING1TERTFUT5P2RY2
SCHEMBL20326933 0.92 POLB (0.52) POLBSTING1TERTP2RY2P2RY4
SCHEMBL20324791 0.89 POLB (0.47) POLBSTING1TERTFUT5P2RY2
SCHEMBL21540039 0.86 POLB (0.49) POLBSTING1TERTF2
SCHEMBL21133201 0.85 POLB (0.47) POLBSTING1TERTFUT5P2RY2
SCHEMBL20325289 0.85 POLB (0.45) POLBSTING1TERTP2RY1
SCHEMBL20325348 0.85 POLB (0.64) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20325346 0.85 POLB (0.64) POLBFUT5P2RY2P2RY4P2RY6

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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