SCHEMBL20691965

SCHEMBL20691965

COP(O)(=S)OC[C@@H]1C[C@@H](OP(O)(=S)OC[C@H]2C[C@@H](n3cnc4c(N)ncnc43)[C@@H]2C)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 1/20 0.45
▸ ENPP1 P22413 2/20 0.45
▸ P2RY11 Q96G91 2/20 0.45
▸ AHCY P23526 1/20 0.43
▸ P2RY1 P47900 4/20 0.43
▸ P2RY2 P41231 3/20 0.43
▸ SRC P12931 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ DNPH1 O43598 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ LDHA P00338 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43

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
SCHEMBL24681145 0.85 RNASEL (0.38) RNASELENPP1P2RY11
SCHEMBL24681007 0.81 BCHE (0.51) ENPP1P2RY11P2RY1P2RY2SRC
SCHEMBL12963431 0.79 ENPP1 (0.64) ENPP1P2RY11P2RY1P2RY2SRC
SCHEMBL7745726 0.77 ADORA1 (0.64) RNASELP2RY11P2RY1P2RY2SRC
SCHEMBL14064192 0.76 POLB (0.55) ENPP1P2RY11P2RY1P2RY2SRC
SCHEMBL19153626 0.76 P2RY1 (0.57) P2RY11P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL20763281 0.76 P2RY1 (0.63) RNASELP2RY11P2RY1P2RY2SRC
SCHEMBL20691945 0.76 BCHE (0.50) ENPP1P2RY11P2RY1P2RY2SRC
SCHEMBL20691455 0.76 BCHE (0.50) ENPP1P2RY11P2RY1P2RY2SRC
SCHEMBL20692152 0.75 RNASEL (0.57) RNASELP2RY1P2RY2SRCP2RX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 — — EP disclosed
WO-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 — — WO disclosed
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