SCHEMBL20326990

SCHEMBL20326990

Nc1nc2c(nnn2[C@H]2CC[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 12/20 0.46
▸ POLB P06746 1/20 0.42
▸ NT5E P21589 1/20 0.38
▸ HPRT1 P00492 4/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TK1 P04183 1/20 0.36
▸ POLG P54098 1/20 0.36

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
SCHEMBL20324724 0.92 PNP (0.45) PNPPOLBNT5EHPRT1
SCHEMBL20324565 0.91 PNP (0.43) PNPPOLBNT5EHPRT1
SCHEMBL20324643 0.84 ALDH1A1 (0.45) PNPTK1
SCHEMBL21636986 0.83 ALDH1A1 (0.47) PNPHPRT1
SCHEMBL20324650 0.82 POLB (0.47) PNPPOLBNT5ETAS1R3TAS1R1
SCHEMBL20758514 0.81 POLB (0.59) PNPPOLBNT5EHPRT1TAS1R3
SCHEMBL3894678 0.81 POLB (0.59) PNPPOLBNT5EHPRT1TAS1R3
SCHEMBL21417495 0.81 POLB (0.59) PNPPOLBNT5EHPRT1TAS1R3
SCHEMBL18837841 0.81 POLB (0.59) PNPPOLBNT5EHPRT1TAS1R3
SCHEMBL13082345 0.80 PNP (0.51) PNPPOLBHPRT1

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-2020016782-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2020-01-23 — — 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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