SCHEMBL24258652

SCHEMBL24258652

CC(C)(C)[Si](C)(C)OC1C[C@H](n2cnc3c(=O)n4cc[nH]c4nc32)O[C@@H]1COP(=O)(S)OC[C@@H]1[C@@H](COP(O)(O)=S)C[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 5/20 0.42
▸ POLB P06746 1/20 0.39
▸ ENPP1 P22413 3/20 0.37
▸ P2RY1 P47900 1/20 0.37
▸ RNASEL Q05823 1/20 0.36

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
SCHEMBL24444137 0.85 POLB (0.42) FHITPOLBENPP1P2RY1RNASEL
SCHEMBL24258563 0.78 FHIT (0.39) FHITP2RY1RNASEL
SCHEMBL21263871 0.73 POLB (0.49) FHITPOLBENPP1P2RY1RNASEL
SCHEMBL24258614 0.72 POLB (0.49) FHITPOLBENPP1P2RY1RNASEL
SCHEMBL24258639 0.72 P2RY1 (0.43) FHITP2RY1RNASEL
SCHEMBL24258604 0.72 POLB (0.41) FHITPOLBENPP1P2RY1RNASEL
SCHEMBL24504388 0.71 RNASEL (0.42) FHITPOLBENPP1P2RY1RNASEL
SCHEMBL21263943 0.69 FHIT (0.45) FHITENPP1P2RY1
SCHEMBL2293016 0.69 ATG7 (0.47) POLBENPP1P2RY1
SCHEMBL2293022 0.69 ATG7 (0.47) POLBENPP1P2RY1

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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