SCHEMBL20908780

SCHEMBL20908780

COC[C@H]1O[C@@H](n2cnc3c(=O)n4ccnc4[nH]c32)C[C@@H]1OP(=O)(O)OC[C@@H]1C[C@@H](F)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.44
▸ RNASEL Q05823 4/20 0.42
▸ P2RY1 P47900 2/20 0.40

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
SCHEMBL24322080 0.86 DTYMK (0.43) DTYMKRNASEL
SCHEMBL25691491 0.85 RNASEL (0.51) RNASELP2RY1
SCHEMBL20908779 0.84 P2RY1 (0.42) DTYMKRNASELP2RY1
SCHEMBL25691489 0.80 P2RY1 (0.43) DTYMKRNASELP2RY1
SCHEMBL22340317 0.79 RNASEL (0.47) DTYMKRNASELP2RY1
SCHEMBL24322613 0.79 POLB (0.40) DTYMKP2RY1
SCHEMBL24258636 0.77 RNASEL (0.42) DTYMKRNASELP2RY1
SCHEMBL22340089 0.76 RNASEL (0.46) DTYMKRNASEL
SCHEMBL22571185 0.75 P2RY1 (0.57) P2RY1
SCHEMBL21133333 0.75 RNASEL (0.58) RNASELP2RY1

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
WO-2019074887-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO disclosed
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