SCHEMBL24258605

SCHEMBL24258605

Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)(S)OC[C@@H]2[C@@H](COP(=O)(O)S)C[C@H]2Cn2cnc3c(=O)n4cnnc4[nH]c32)O1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ ENPP1 P22413 2/20 0.36
▸ FHIT P49789 5/20 0.35
▸ BCHE P06276 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ DTYMK P23919 2/20 0.34

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
SCHEMBL24258666 0.91 POLB (0.37) POLBENPP1FHITBCHEP2RY1
SCHEMBL24258642 0.83 BCHE (0.35) POLBENPP1FHITBCHEP2RY1
SCHEMBL24258634 0.83 BCHE (0.35) POLBENPP1FHITBCHEP2RY1
SCHEMBL24258615 0.81 RNASEL (0.38) POLBENPP1FHITBCHEP2RY1
SCHEMBL24258665 0.81 FHIT (0.39) FHITBCHEP2RY1
SCHEMBL21636992 0.76 POLB (0.53) POLBENPP1BCHEP2RY1
SCHEMBL22352087 0.76 POLB (0.53) POLBENPP1BCHEP2RY1
SCHEMBL16221579 0.76 POLB (0.53) POLBENPP1BCHEP2RY1
SCHEMBL22352200 0.76 POLB (0.53) POLBENPP1BCHEP2RY1
SCHEMBL20028990 0.76 POLB (0.53) POLBENPP1BCHEP2RY1

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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