SCHEMBL29325781

SCHEMBL29325781

Nc1ncnc2c1ncn2C1CCC(CO[P@@](=O)(S)O[C@@H]2CC(COPO)OC2n2c(=O)[nH]c3c(N)ncnc32)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.41
▸ POLB P06746 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ P2RY1 P47900 2/20 0.39
▸ ENPP1 P22413 2/20 0.39
▸ FHIT P49789 2/20 0.38
▸ DNPH1 O43598 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ TRPM2 O94759 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ P2RY2 P41231 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38

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
SCHEMBL29331766 0.90 DTYMK (0.41) DTYMKPOLBP2RY1FHITDNPH1
SCHEMBL21896050 0.83 DTYMK (0.47) DTYMKPOLBP2RY1ENPP1FHIT
SCHEMBL29331768 0.83 DTYMK (0.44) DTYMKP2RY1ENPP1FHITDNPH1
SCHEMBL23679562 0.82 RNASEL (0.49) P2RY1FHITDNPH1PRKAB2TRPM2
SCHEMBL23679530 0.79 POLB (0.44) POLBP2RY1ENPP1FHITDNPH1
SCHEMBL25964517 0.79 P2RY1 (0.49) POLBP2RY1FHITDNPH1PRKAB2
SCHEMBL22083745 0.79 F2 (0.47) POLB
SCHEMBL22083410 0.78 POLB (0.46) POLBBCHEP2RY1ENPP1FHIT
SCHEMBL29323926 0.77 RNASEL (0.58) —
SCHEMBL23679813 0.77 RNASEL (0.64) —

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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