SCHEMBL12162578

SCHEMBL12162578

COc1ccc(-c2nc(C(=O)NCCNc3ncccn3)c(CN)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.72
▸ PDE11A Q9HCR9 15/20 0.72
▸ PDE10A Q9Y233 2/20 0.68
▸ PDE4D Q08499 1/20 0.65

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
SCHEMBL8275031 0.93 PDE4B (0.68) PDE4BPDE11APDE10APDE4D
SCHEMBL12162862 0.90 PDE4B (0.57) PDE4BPDE11APDE10APDE4D
SCHEMBL12163082 0.89 PDE4B (0.76) PDE4BPDE11APDE10APDE4D
SCHEMBL13919221 0.89 PDE4B (0.71) PDE4BPDE11A
SCHEMBL13918608 0.88 PDE4B (0.81) PDE4BPDE11APDE10APDE4D
SCHEMBL12162887 0.88 PDE4B (0.80) PDE4BPDE11APDE10APDE4D
SCHEMBL12163088 0.88 PDE4B (0.70) PDE4BPDE11APDE10APDE4D
SCHEMBL13918772 0.88 PDE4B (0.70) PDE4BPDE11APDE10APDE4D
SCHEMBL13918767 0.88 PDE4B (0.70) PDE4BPDE11APDE10APDE4D
SCHEMBL8275033 0.88 PDE4B (0.73) PDE4BPDE11APDE10APDE4D

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-1758883-B1 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORP (US) 2011-11-02 — — EP disclosed
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