SCHEMBL21896066

SCHEMBL21896066

COP(=O)(S)O[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OP(=O)(S)OC[C@H]1O[C@@H](n2c(=O)[nH]c3c(N)ncnc32)C[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ ENPP1 P22413 3/20 0.52
▸ P2RY1 P47900 2/20 0.52
▸ DTYMK P23919 4/20 0.49
▸ NT5E P21589 1/20 0.42
▸ DNPH1 O43598 1/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ TRPM2 O94759 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ P2RY2 P41231 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PDE3A Q14432 1/20 0.42

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
SCHEMBL29323932 0.82 DTYMK (0.55) POLBENPP1P2RY1DTYMKDNPH1
SCHEMBL29330468 0.82 DTYMK (0.55) POLBENPP1P2RY1DTYMKDNPH1
SCHEMBL10034046 0.80 POLB (0.66) POLBENPP1P2RY1DTYMKNT5E
SCHEMBL21896065 0.80 DTYMK (0.40) POLBENPP1P2RY1DTYMKTRPM2
SCHEMBL21896050 0.79 DTYMK (0.47) POLBENPP1P2RY1DTYMKDNPH1
SCHEMBL23679569 0.79 POLB (0.49) POLBENPP1P2RY1DTYMKTRPM2
SCHEMBL8979286 0.79 POLB (0.53) POLBENPP1P2RY1DTYMKTRPM2
SCHEMBL16871807 0.79 POLB (0.53) POLBENPP1P2RY1DTYMKTRPM2
SCHEMBL19069603 0.78 DTYMK (0.68) POLBENPP1P2RY1DTYMKTERT
SCHEMBL16743928 0.78 DTYMK (0.68) POLBENPP1P2RY1DTYMKTERT

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-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 — — WO disclosed
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