Sugi Predict

Sugi Predict / Compounds / SCHEMBL24060675

SCHEMBL24060675

SCHEMBL24060675

Nc1ncnc2c1ncn2[C@@H]1CO[C@H](COP(=O)(O)O)[C@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c4nccn4c32)C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.52
▸ POLB P06746 1/20 0.51
▸ RNASEL Q05823 4/20 0.50
▸ ENPP1 P22413 2/20 0.48
▸ P2RY1 P47900 1/20 0.48

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
SCHEMBL22340091 0.90 POLB (0.55) DTYMKPOLBRNASELENPP1P2RY1
SCHEMBL22340271 0.85 POLB (0.53) DTYMKPOLBENPP1P2RY1
SCHEMBL22340317 0.83 RNASEL (0.47) DTYMKPOLBRNASELP2RY1
SCHEMBL22340261 0.82 POLB (0.54) DTYMKPOLBENPP1P2RY1
SCHEMBL22340089 0.81 RNASEL (0.46) DTYMKPOLBRNASEL
SCHEMBL24060484 0.81 RNASEL (0.45) DTYMKRNASEL
SCHEMBL22340220 0.78 DTYMK (0.44) DTYMKPOLBRNASELENPP1P2RY1
SCHEMBL543475 0.76 POLB (0.81) POLBRNASELENPP1P2RY1
SCHEMBL4546151 0.76 POLB (0.81) POLBRNASELENPP1P2RY1
SCHEMBL7882477 0.76 POLB (0.81) POLBRNASELENPP1P2RY1

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-3676279-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2021-12-01 — — EP disclosed
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