SCHEMBL13744405

SCHEMBL13744405

CS(=O)(=O)c1cccc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)nc2-n2ccc(N)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ALOX5 P09917 1/20 0.41
NR1H2 P55055 3/20 0.40
PTGS2 P35354 10/20 0.39
NR1H3 Q13133 3/20 0.39
PTGS1 P23219 2/20 0.39
RXRA P19793 1/20 0.39
JAK2 O60674 1/20 0.38
PIK3CA P42336 1/20 0.37

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
SCHEMBL2084518 0.92 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2084999 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2085195 0.75 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL2084878 0.74 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL2082824 0.74 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2085307 0.73 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL2085857 0.73 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2083727 0.73 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2083722 0.72 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2084336 0.72 PDE4A (0.88) PDE4APDE4BPDE4CPDE4DPTGS2

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
WO-2009095773-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-06 WO disclosed