SCHEMBL20325348

SCHEMBL20325348

Nc1nc2c(ncn2[C@H]2C[C@@H](F)[C@@H](COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ P2RY2 P41231 1/20 0.54
▸ P2RY4 P51582 1/20 0.54
▸ P2RY6 Q15077 1/20 0.54
▸ NT5E P21589 1/20 0.54
▸ TGM2 P21980 1/20 0.53
▸ FUT5 Q11128 1/20 0.49
▸ KRAS P01116 9/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ IMPDH2 P12268 2/20 0.47
▸ HPRT1 P00492 1/20 0.47

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
SCHEMBL20325346 1.00 POLB (0.64) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL9856344 0.94 POLB (0.67) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL21132941 0.94 POLB (0.67) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL20324606 0.94 POLB (0.67) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL23679761 0.90 POLB (0.78) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL29327116 0.90 POLB (0.78) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL22524036 0.90 POLB (0.63) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL20327203 0.90 POLB (0.63) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL9856605 0.90 POLB (0.67) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL22524067 0.89 POLB (0.64) POLBP2RY2P2RY4P2RY6NT5E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020205323-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2020-10-08 — — 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
WO-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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