SCHEMBL29331207

SCHEMBL29331207

Nc1nc2c(ncn2[C@H]2CC[C@@H](COP(=O)(O)O[C@H]3C(O)[C@H](n4cnc5cccc(N)c5c4=O)O[C@@H]3COP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 1/20 0.49
▸ P2RY4 P51582 1/20 0.49
▸ P2RY6 Q15077 1/20 0.49
▸ FUT5 Q11128 1/20 0.48
▸ TGM2 P21980 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ NT5E P21589 1/20 0.47
▸ RNASEL Q05823 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ KRAS P01116 3/20 0.45
▸ F2 P00734 1/20 0.45
▸ IMPDH2 P12268 6/20 0.44
▸ IMPDH1 P20839 1/20 0.44

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
SCHEMBL20324735 0.85 RNASEL (0.62) P2RY2TAS1R3TAS1R1RNASEL
SCHEMBL20763046 0.84 FUT5 (0.57) P2RY2P2RY4P2RY6FUT5TGM2
SCHEMBL20324732 0.82 P2RY2 (0.52) P2RY2P2RY4P2RY6FUT5TGM2
SCHEMBL29331208 0.82 POLB (0.47) P2RY2P2RY4P2RY6FUT5TGM2
SCHEMBL20327583 0.81 STING1 (0.52) P2RY2P2RY4P2RY6FUT5TGM2
SCHEMBL20324890 0.81 STING1 (0.52) P2RY2P2RY4P2RY6FUT5TGM2
SCHEMBL29331173 0.81 TAS1R3 (0.48) P2RY2P2RY4P2RY6FUT5TGM2
SCHEMBL21648046 0.80 TGM2 (0.61) P2RY2P2RY4P2RY6FUT5TGM2
SCHEMBL19448916 0.80 TGM2 (0.61) P2RY2P2RY4P2RY6FUT5TGM2
SCHEMBL23679598 0.80 POLB (0.46) P2RY2P2RY4P2RY6FUT5TGM2

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
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 — — EP disclosed
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