SCHEMBL6985010

SCHEMBL6985010

COc1ccc(C=O)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.59
PDE3A Q14432 2/20 0.51
PDE4A P27815 7/20 0.49
PDE4C Q08493 7/20 0.49
PDE4D Q08499 7/20 0.49
PDE11A Q9HCR9 2/20 0.48
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL6977325 0.79 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL12464179 0.79 PDE4B (0.61) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL683182 0.78 PDE4B (0.56) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL8274275 0.78 PDE4B (0.56) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL6985006 0.77 PDE4B (0.53) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL3119101 0.76 PDE4B (0.63) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2671425 0.76 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL12396247 0.75 PDE4B (0.54) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL20869165 0.75 PDE4B (0.53) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2131813 0.75 PDE4B (0.39) PDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946541-B1 QUINOLINES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-07-30 EP disclosed
US-6069151-A Quinolines and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-30 US disclosed
EP-0946541-A1 QUINOLINES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-10-06 EP disclosed
WO-1998020007-A1 QUINOLINES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-14 WO disclosed