SCHEMBL13919657

SCHEMBL13919657

COc1ccc(-c2nc(C(=O)NCC(=O)Nc3nccs3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.65
▸ PDE11A Q9HCR9 13/20 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
SCHEMBL13918875 0.89 PDE4B (0.73) PDE4BPDE11A
SCHEMBL13920075 0.88 PDE4B (0.63) PDE4BPDE11A
SCHEMBL13920287 0.87 PDE4B (0.69) PDE4BPDE11A
SCHEMBL13920254 0.86 PDE4B (0.73) PDE4BPDE11A
SCHEMBL13919506 0.86 PDE4B (0.64) PDE4BPDE11A
SCHEMBL13920026 0.86 PDE4B (0.79) PDE4BPDE11A
SCHEMBL13920039 0.86 PDE4B (0.72) PDE4BPDE11A
SCHEMBL13920256 0.86 PDE4B (0.68) PDE4BPDE11A
SCHEMBL12162929 0.85 PDE4B (0.72) PDE4BPDE11A
SCHEMBL13920197 0.85 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
Send feedback