SCHEMBL21896050

SCHEMBL21896050

C[C@@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(S)O[C@@H]1C[C@@H](COP(=O)(O)S)O[C@H]1n1c(=O)[nH]c2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.47
▸ POLB P06746 1/20 0.46
▸ P2RY1 P47900 2/20 0.44
▸ ENPP1 P22413 2/20 0.44
▸ DNPH1 O43598 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ LDHA P00338 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ P2RY2 P41231 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29331768 0.92 DTYMK (0.44) DTYMKP2RY1ENPP1DNPH1PRKAB2
SCHEMBL29324032 0.85 DTYMK (0.45) DTYMKPOLBP2RY1DNPH1PRKAB2
SCHEMBL29325781 0.83 DTYMK (0.41) DTYMKPOLBP2RY1ENPP1DNPH1
SCHEMBL29330468 0.83 DTYMK (0.55) DTYMKPOLBP2RY1ENPP1DNPH1
SCHEMBL29323932 0.83 DTYMK (0.55) DTYMKPOLBP2RY1ENPP1DNPH1
SCHEMBL29332913 0.83 POLB (0.62) POLBP2RY1ENPP1DNPH1PRKAB2
SCHEMBL29331766 0.83 DTYMK (0.41) DTYMKPOLBP2RY1DNPH1PRKAB2
SCHEMBL29325801 0.83 FHIT (0.44) DTYMKP2RY1DNPH1PRKAB2TRPM2
SCHEMBL23679562 0.82 RNASEL (0.49) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL23679685 0.79 DTYMK (0.43) DTYMKPOLBP2RY1ENPP1DNPH1

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
WO-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 — — WO disclosed
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