SCHEMBL23679562

SCHEMBL23679562

Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)(S)OC2[C@H](n3c(=O)[nH]c4c(N)ncnc43)O[C@H](COP(=O)(O)S)[C@H]2O)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 8/20 0.49
▸ ADORA1 P30542 2/20 0.48
▸ DNPH1 O43598 1/20 0.48
▸ PRKAB2 O43741 1/20 0.48
▸ TRPM2 O94759 1/20 0.48
▸ LDHA P00338 1/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ FBP1 P09467 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ P2RY2 P41231 1/20 0.48
▸ P2RY1 P47900 1/20 0.48
▸ PRKAG1 P54619 1/20 0.48
▸ PRKAA2 P54646 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ PRKAA1 Q13131 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48

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
SCHEMBL29323932 0.90 DTYMK (0.55) RNASELADORA1DNPH1PRKAB2TRPM2
SCHEMBL29330468 0.90 DTYMK (0.55) RNASELADORA1DNPH1PRKAB2TRPM2
SCHEMBL23679813 0.90 RNASEL (0.64) RNASEL
SCHEMBL29325792 0.89 RNASEL (0.48) RNASELADORA1DNPH1PRKAB2TRPM2
SCHEMBL29330554 0.88 RNASEL (0.48) RNASELP2RY2
SCHEMBL22352078 0.86 RNASEL (0.52) RNASEL
SCHEMBL29323926 0.85 RNASEL (0.58) RNASEL
SCHEMBL21417491 0.83 P2RY1 (0.51) RNASELADORA1DNPH1PRKAB2TRPM2
SCHEMBL29331766 0.83 DTYMK (0.41) RNASELADORA1DNPH1PRKAB2TRPM2
SCHEMBL29325781 0.82 DTYMK (0.41) ADORA1DNPH1PRKAB2TRPM2LDHA

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
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 — — EP disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 — — EP disclosed
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