SCHEMBL13919358

SCHEMBL13919358

COc1ccc(-c2nc(C(=O)NCCNC(=O)c3ccccn3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.72
▸ PDE11A Q9HCR9 14/20 0.72
▸ PDE10A Q9Y233 1/20 0.59

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
SCHEMBL13918881 0.91 PDE4B (0.71) PDE4BPDE11A
SCHEMBL13919356 0.91 PDE4B (0.68) PDE4BPDE11A
SCHEMBL13919221 0.90 PDE4B (0.71) PDE4BPDE11A
SCHEMBL13918975 0.89 PDE4B (0.76) PDE4BPDE11APDE10A
SCHEMBL13918952 0.89 PDE4B (0.76) PDE4BPDE11APDE10A
SCHEMBL13918900 0.89 PDE4B (0.77) PDE4BPDE11A
SCHEMBL13919926 0.89 PDE4B (0.75) PDE4BPDE11A
SCHEMBL13919898 0.89 PDE4B (0.78) PDE4BPDE11APDE10A
SCHEMBL13919808 0.88 PDE4B (0.74) PDE4BPDE11A
SCHEMBL13918865 0.88 PDE4B (0.79) PDE4BPDE11A

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