SCHEMBL15906327

SCHEMBL15906327

Nc1ncnc2c1nc(-c1ccc(F)cc1)n2C1OC2COP(=O)(S)O[C@H]2C1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.60
PDE4B Q07343 14/20 0.60
PDE4C Q08493 14/20 0.60
PDE4D Q08499 14/20 0.60
RAPGEF3 O95398 1/20 0.57
TSHR P16473 1/20 0.57
HIF1A Q16665 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
PMP22 Q01453 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
STING1 Q86WV6 3/20 0.53
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53

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
SCHEMBL1106652 1.00 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL14034140 1.00 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL1106658 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL1130058 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL10098849 0.87 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL1106672 0.87 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL15906305 0.87 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL1106657 0.84 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL1106656 0.84 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL1106681 0.84 GAPDH (0.59) 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