SCHEMBL20691956

SCHEMBL20691956

COP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c4nccn4c32)[C@H](F)[C@@H]1OP(O)(=S)OC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 4/20 0.40
▸ NT5E P21589 1/20 0.40
▸ DTYMK P23919 2/20 0.39
▸ P2RY11 Q96G91 2/20 0.39
▸ ENPP1 P22413 2/20 0.39
▸ DNPH1 O43598 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ TRPM2 O94759 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ P2RY2 P41231 1/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38

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
SCHEMBL24680655 0.87 NT5E (0.40) RNASELNT5EDTYMKP2RY11DNPH1
SCHEMBL20692026 0.84 STING1 (0.32) RNASELDTYMKENPP1
SCHEMBL22349197 0.79 DTYMK (0.42) DTYMKP2RY11ENPP1DNPH1PRKAB2
SCHEMBL22340335 0.78 NT5E (0.48) RNASELNT5EP2RY11DNPH1PRKAB2
SCHEMBL20692152 0.78 RNASEL (0.57) RNASELNT5ESRCP2RY2P2RY1
SCHEMBL20691370 0.76 RNASEL (0.54) RNASELNT5ESRCP2RY2P2RY1
SCHEMBL20691346 0.75 NT5E (0.49) RNASELNT5EP2RY11DNPH1PRKAB2
SCHEMBL24258653 0.75 NT5E (0.37) RNASELNT5EP2RY11DNPH1PRKAB2
SCHEMBL20691965 0.74 RNASEL (0.45) RNASELP2RY11ENPP1DNPH1PRKAB2
SCHEMBL20691449 0.74 STING1 (0.47) —

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-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 — — WO disclosed
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