SCHEMBL11903486

SCHEMBL11903486

NCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(N)(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ENPP1 P22413 3/20 0.49
P2RY1 P47900 2/20 0.49
ADORA1 P30542 2/20 0.47
DNPH1 O43598 1/20 0.47
PRKAB2 O43741 1/20 0.47
TRPM2 O94759 1/20 0.47
LDHA P00338 1/20 0.47
ADRB2 P07550 1/20 0.47
FBP1 P09467 1/20 0.47
SRC P12931 1/20 0.47
P2RY2 P41231 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47

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
SCHEMBL111240 0.89 POLB (0.48) POLBENPP1P2RY1ADORA1DNPH1
SCHEMBL1984326 0.85 POLB (0.51) POLBENPP1P2RY1ADORA1DNPH1
SCHEMBL2691352 0.85 POLB (0.62) POLBENPP1P2RY1ADORA1DNPH1
SCHEMBL12537676 0.84 POLB (0.52) POLBENPP1P2RY1ADORA1DNPH1
SCHEMBL12537744 0.84 POLB (0.51) POLBENPP1P2RY1ADORA1DNPH1
SCHEMBL112026 0.83 POLB (0.49) POLBENPP1P2RY1ADORA1DNPH1
SCHEMBL12537717 0.82 POLB (0.48) POLBENPP1P2RY1ADORA1DNPH1
SCHEMBL1969290 0.82 POLB (0.59) POLBENPP1P2RY1ADORA1DNPH1
SCHEMBL1969284 0.82 POLB (0.59) POLBENPP1P2RY1ADORA1DNPH1
SCHEMBL12537753 0.81 POLB (0.44) POLBENPP1P2RY1ADORA1DNPH1

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
US-8242087-B2 Phosphate modified nucleosides useful as substrates for polymerases and as antiviral agents K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2012-08-14 US disclosed