SCHEMBL29324484

SCHEMBL29324484

Nc1ccc2ncn([C@@H]3O[C@H](COP(=O)(O)OC4C(O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(=O)[nH]c(N)nc54)CC3O)c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.53
▸ TAS1R1 Q7RTX1 1/20 0.53
▸ TGM2 P21980 1/20 0.52
▸ RNASEL Q05823 7/20 0.51
▸ FUT5 Q11128 1/20 0.51
▸ P2RY2 P41231 1/20 0.50
▸ P2RY4 P51582 1/20 0.50
▸ P2RY6 Q15077 1/20 0.50
▸ NT5E P21589 1/20 0.49
▸ IMPDH2 P12268 1/20 0.47
▸ KRAS P01116 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
SCHEMBL19186042 0.85 RNASEL (0.69) RNASEL
SCHEMBL18937290 0.85 RNASEL (0.69) RNASEL
SCHEMBL21648046 0.85 TGM2 (0.61) TAS1R3TAS1R1TGM2RNASELFUT5
SCHEMBL19448916 0.85 TGM2 (0.61) TAS1R3TAS1R1TGM2RNASELFUT5
SCHEMBL20324586 0.84 RNASEL (0.60) RNASELP2RY2P2RY4P2RY6
SCHEMBL21362202 0.84 RNASEL (0.60) TAS1R3TAS1R1TGM2RNASELFUT5
SCHEMBL22142885 0.83 TGM2 (0.57) TAS1R3TAS1R1TGM2RNASELFUT5
SCHEMBL20327568 0.82 TAS1R3 (0.58) TAS1R3TAS1R1TGM2RNASELFUT5
SCHEMBL23679554 0.82 FUT5 (0.47) TAS1R3TAS1R1TGM2FUT5P2RY2
SCHEMBL18937285 0.81 FUT5 (0.55) TAS1R3TAS1R1TGM2RNASELFUT5

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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