SCHEMBL7017768

SCHEMBL7017768

CCc1cc2c(OC(=O)Nc3ccccc3C(F)(F)F)cnc(OC(F)F)c2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.40
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7015621 0.76 PDE4D (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7019337 0.75 PDE4D (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015219 0.74 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7018517 0.72 PDE4D (0.72) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7020167 0.72 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7021808 0.71 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7019362 0.70 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7020430 0.69 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7015584 0.67 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL7013445 0.67 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D

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-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP claimed