SCHEMBL23679576

SCHEMBL23679576

CP(=O)(OCC1C[C@@H](COP(=O)(O)S)O[C@H]1n1c(=O)[nH]c2c(N)ncnc21)O[C@@H]1CC[C@H](n2c(=O)[nH]c3c(N)ncnc32)O1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.36
▸ AMD1 P17707 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ ENPP1 P22413 2/20 0.32
▸ P2RY1 P47900 1/20 0.31
▸ PARG Q86W56 1/20 0.31

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
SCHEMBL23679565 0.81 AMD1 (0.42) DTYMKAMD1POLBENPP1P2RY1
SCHEMBL29328769 0.81 AMD1 (0.38) DTYMKAMD1POLBP2RY1
SCHEMBL23679569 0.75 POLB (0.49) DTYMKPOLBENPP1P2RY1
SCHEMBL23679568 0.73 DTYMK (0.33) DTYMKPOLB
SCHEMBL29331768 0.72 DTYMK (0.44) DTYMKENPP1P2RY1
SCHEMBL23679563 0.72 DTYMK (0.46) DTYMKENPP1P2RY1
SCHEMBL29328764 0.72 AMD1 (0.38) DTYMKAMD1POLBENPP1P2RY1
SCHEMBL21896050 0.72 DTYMK (0.47) DTYMKPOLBENPP1P2RY1
SCHEMBL23679478 0.71 DTYMK (0.34) DTYMKAMD1POLBP2RY1
SCHEMBL29330814 0.70 DTYMK (0.43) DTYMKPOLBENPP1P2RY1

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-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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