SCHEMBL21133327

SCHEMBL21133327

Nc1ncnc2c1ncn2C1CC(F)[C@@H](COP(=O)(S)O[C@H]2CC(n3cnc4c(=O)[nH]cnc43)O[C@@H]2COP(=O)(O)S)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ STING1 Q86WV6 4/20 0.48
▸ ENPP1 P22413 2/20 0.47
▸ P2RY1 P47900 2/20 0.47
▸ DNPH1 O43598 1/20 0.45
▸ PRKAB2 O43741 1/20 0.45
▸ TRPM2 O94759 1/20 0.45
▸ LDHA P00338 1/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ FBP1 P09467 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ P2RY2 P41231 1/20 0.45
▸ PRKAG1 P54619 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL21133334 1.00 POLB (0.49) POLBSTING1ENPP1P2RY1DNPH1
SCHEMBL21132939 1.00 POLB (0.49) POLBSTING1ENPP1P2RY1DNPH1
SCHEMBL20326933 0.91 POLB (0.52) POLBSTING1ENPP1P2RY1P2RY2
SCHEMBL21539899 0.90 ALDH1A1 (0.49) POLBSTING1ENPP1P2RY1DNPH1
SCHEMBL21132940 0.89 POLB (0.40) POLBSTING1ENPP1P2RY1
SCHEMBL22930774 0.86 POLB (0.52) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL22340083 0.86 POLB (0.45) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL20325289 0.85 POLB (0.45) POLBSTING1ENPP1P2RY1
SCHEMBL21540039 0.85 POLB (0.49) POLBSTING1
SCHEMBL18822610 0.84 POLB (0.53) POLBENPP1P2RY1DNPH1PRKAB2

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-3505527-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION Invivogen (FR) 2019-07-03 — — EP disclosed
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