SCHEMBL7421111

SCHEMBL7421111

Cc1ccc2c(C(=O)Nc3cc[nH]c(=O)c3Cl)ccc(OC(F)F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.47
PDE4B Q07343 10/20 0.47
PDE4C Q08493 10/20 0.47
PDE4D Q08499 10/20 0.47
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
PDE11A Q9HCR9 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LRRK2 Q5S007 1/20 0.35
MET P08581 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL7432930 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL4698112 0.77 PDE4D (0.77) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7977878 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL7982474 0.74 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL4701753 0.73 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4699328 0.68 PDE4D (0.69) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL4703070 0.66 PDE4D (0.75) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7976353 0.65 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7979774 0.65 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL4698780 0.64 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DPDE11A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045845-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY Darwin Discovery Limited (GB) 2000-10-25 EP claimed
WO-2000026208-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2000-05-11 WO claimed