SCHEMBL15906331

SCHEMBL15906331

Nc1ncnc2c1nc(Br)n2C1OC2COP(=O)(S)O[C@@H]2[C@@H]1O

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 13/20 0.81
▸ PDE4B Q07343 13/20 0.81
▸ PDE4C Q08493 13/20 0.81
▸ PDE4D Q08499 13/20 0.81
▸ RAPGEF3 O95398 1/20 0.80
▸ TSHR P16473 1/20 0.80
▸ HIF1A Q16665 1/20 0.80
▸ LMNA P02545 1/20 0.80
▸ MAPT P10636 1/20 0.80
▸ PMP22 Q01453 1/20 0.80
▸ NPSR1 Q6W5P4 1/20 0.80
▸ STING1 Q86WV6 2/20 0.58
▸ PRKACA P17612 1/20 0.57
▸ PRKACG P22612 1/20 0.57
▸ PRKACB P22694 1/20 0.57
▸ BLM P54132 1/20 0.57

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
SCHEMBL1106661 1.00 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL13639048 1.00 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL13300472 1.00 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL29359388 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL16079734 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL5951342 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL13300468 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL2713659 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL29384358 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL14260882 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DRAPGEF3

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-1765844-B1 PURINE NUCLEOTIDE DERIVATIVES SOLVELL AS (NO) 2014-07-30 — — EP disclosed
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