SCHEMBL7013445

SCHEMBL7013445

CCc1cc2c(Br)cnc(OC(F)F)c2o1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.51
PDE4B Q07343 7/20 0.51
PDE4C Q08493 7/20 0.51
PDE4D Q08499 7/20 0.51
SLC22A12 Q96S37 2/20 0.34

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
SCHEMBL7015107 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL7013430 0.80 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL7015062 0.70 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL7019078 0.68 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL20525065 0.66 L3MBTL1 (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL21436536 0.65 PLAU (0.40)
SCHEMBL16044313 0.63 GAA (0.35)
SCHEMBL20516612 0.63 CRHR1 (0.36)
SCHEMBL16650333 0.63 KDM4E (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL6604819 0.62 F2RL3 (0.32)

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-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP disclosed
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
US-6169090-B1 FOR INHIBITION OF PHOSPHODIESTERASE IV DARWIN DISCOVERY, LTD. (GB) 2001-01-02 US disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed