SCHEMBL24258642

SCHEMBL24258642

C#C[P@@](=O)(S)OC[C@H]1C[C@@H](n2cnc3c(=O)n4cnnc4[nH]c32)[C@@H]1COP(=O)(S)OC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ENPP1 P22413 3/20 0.34
▸ P2RY1 P47900 1/20 0.33
▸ RNASEL Q05823 1/20 0.33
▸ FHIT P49789 5/20 0.33
▸ DTYMK P23919 2/20 0.32

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
SCHEMBL24258634 1.00 BCHE (0.35) BCHEPOLBENPP1P2RY1RNASEL
SCHEMBL24258666 0.92 POLB (0.37) BCHEPOLBENPP1P2RY1RNASEL
SCHEMBL24258655 0.90 BCHE (0.34) BCHEPOLBENPP1P2RY1RNASEL
SCHEMBL24258605 0.83 POLB (0.36) BCHEPOLBENPP1P2RY1FHIT
SCHEMBL24258665 0.82 FHIT (0.39) BCHEP2RY1RNASELFHIT
SCHEMBL24258615 0.81 RNASEL (0.38) BCHEPOLBENPP1P2RY1RNASEL
SCHEMBL24258659 0.75 ENPP1 (0.41) POLBENPP1P2RY1RNASELDTYMK
SCHEMBL24258606 0.72 POLB (0.42) BCHEPOLBENPP1P2RY1RNASEL
SCHEMBL21263871 0.71 POLB (0.49) POLBENPP1P2RY1RNASELFHIT
SCHEMBL20691275 0.70 BCHE (0.52) BCHEPOLBENPP1P2RY1FHIT

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-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
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