SCHEMBL13920535

SCHEMBL13920535

COc1ccc(-c2nc(C(C)N)c(C(C)=O)s2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.49
▸ PDE11A Q9HCR9 11/20 0.48
▸ PDE10A Q9Y233 1/20 0.48

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
SCHEMBL13920541 0.92 PDE4B (0.54) PDE4BPDE11APDE10A
SCHEMBL8274204 0.89 PDE4B (0.47) PDE4BPDE11APDE10A
SCHEMBL8275375 0.82 PDE4B (0.47) PDE4BPDE11APDE10A
SCHEMBL13920539 0.80 PDE4B (0.62) PDE4BPDE11APDE10A
SCHEMBL16350363 0.79 PDE4B (0.49) PDE4BPDE11APDE10A
SCHEMBL16350362 0.78 PDE4B (0.44) PDE4BPDE11APDE10A
SCHEMBL8274726 0.78 PDE4B (0.65) PDE4BPDE11APDE10A
SCHEMBL13920546 0.78 PDE4B (0.58) PDE4BPDE11APDE10A
SCHEMBL13920538 0.78 PDE4B (0.43) PDE4BPDE11APDE10A
SCHEMBL8274209 0.77 PDE4B (0.47) PDE4BPDE11APDE10A

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-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
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