SCHEMBL29330468

SCHEMBL29330468

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[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 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.55
▸ POLB P06746 1/20 0.54
▸ RNASEL Q05823 4/20 0.52
▸ ENPP1 P22413 2/20 0.52
▸ P2RY1 P47900 2/20 0.52
▸ DNPH1 O43598 1/20 0.50
▸ PRKAB2 O43741 1/20 0.50
▸ TRPM2 O94759 1/20 0.50
▸ LDHA P00338 1/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ FBP1 P09467 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ P2RY2 P41231 1/20 0.50
▸ PRKAG1 P54619 1/20 0.50
▸ PRKAA2 P54646 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ PRKAA1 Q13131 1/20 0.50
▸ PDE3A Q14432 1/20 0.50

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 1.00 DTYMK (0.55) DTYMKPOLBRNASELENPP1P2RY1
SCHEMBL23679562 0.90 RNASEL (0.49) RNASELP2RY1DNPH1PRKAB2TRPM2
SCHEMBL29330906 0.89 DTYMK (0.45) DTYMKPOLBRNASELENPP1P2RY1
SCHEMBL29324308 0.89 DTYMK (0.45) DTYMKPOLBRNASELENPP1P2RY1
SCHEMBL29325792 0.86 RNASEL (0.48) RNASELP2RY1DNPH1PRKAB2TRPM2
SCHEMBL21896050 0.83 DTYMK (0.47) DTYMKPOLBENPP1P2RY1DNPH1
SCHEMBL21896066 0.82 POLB (0.53) DTYMKPOLBENPP1P2RY1DNPH1
SCHEMBL24538794 0.82 POLB (0.77) DTYMKPOLBENPP1P2RY1DNPH1
SCHEMBL23679569 0.81 POLB (0.49) DTYMKPOLBENPP1P2RY1TRPM2
SCHEMBL23679813 0.81 RNASEL (0.64) RNASEL

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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