SCHEMBL24258655

SCHEMBL24258655

C#CP(=O)(S)OC[C@H]1C[C@@H](n2cnc3c(=O)n4nnnc4[nH]c32)[C@@H]1COP(=O)(S)OC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.34
▸ ENPP1 P22413 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ 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
SCHEMBL24258642 0.90 BCHE (0.35) BCHEENPP1POLBP2RY1RNASEL
SCHEMBL24258634 0.90 BCHE (0.35) BCHEENPP1POLBP2RY1RNASEL
SCHEMBL24258666 0.82 POLB (0.37) BCHEENPP1POLBP2RY1RNASEL
SCHEMBL24258615 0.78 RNASEL (0.38) BCHEENPP1POLBP2RY1RNASEL
SCHEMBL24258605 0.73 POLB (0.36) BCHEENPP1POLBP2RY1FHIT
SCHEMBL24258606 0.72 POLB (0.42) BCHEENPP1POLBP2RY1RNASEL
SCHEMBL24258665 0.72 FHIT (0.39) BCHEP2RY1RNASELFHIT
SCHEMBL20691275 0.70 BCHE (0.52) BCHEENPP1POLBP2RY1FHIT
SCHEMBL20691308 0.69 RNASEL (0.44) BCHEENPP1POLBP2RY1RNASEL
SCHEMBL19145765 0.69 BCHE (0.52) BCHEENPP1POLBP2RY1

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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