SCHEMBL13919554

SCHEMBL13919554

COc1ccc(-c2nc(C(=O)N[C@H](CNc3ncccn3)C(C)C)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.68
▸ PDE11A Q9HCR9 11/20 0.65
▸ PDE10A Q9Y233 1/20 0.52

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
SCHEMBL13919420 0.93 PDE4B (0.70) PDE4BPDE11APDE10A
SCHEMBL13919396 0.93 PDE4B (0.70) PDE4BPDE11APDE10A
SCHEMBL13919553 0.91 PDE4B (0.67) PDE4BPDE11APDE10A
SCHEMBL13919673 0.88 PDE4B (0.78) PDE4BPDE11APDE10A
SCHEMBL13919221 0.88 PDE4B (0.71) PDE4BPDE11A
SCHEMBL13920338 0.86 PDE4B (0.65) PDE4BPDE11APDE10A
SCHEMBL13919220 0.86 PDE4B (0.70) PDE4BPDE11A
SCHEMBL13920609 0.86 PDE4B (0.71) PDE4BPDE11A
SCHEMBL13919432 0.86 PDE4B (0.71) PDE4BPDE11A
SCHEMBL13919435 0.86 PDE4B (0.71) 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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