SCHEMBL7013469

SCHEMBL7013469

CCc1cc2c(OC(=O)Nc3cc[n+]([O-])cc3C)cnc(OC)c2o1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.45
PDE4B Q07343 9/20 0.45
PDE4C Q08493 9/20 0.45
PDE4D Q08499 9/20 0.45
KDR P35968 3/20 0.32
EGFR P00533 2/20 0.30
DPP4 P27487 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7015651 0.92 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DDPP4
SCHEMBL7015584 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL7016224 0.87 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7019315 0.86 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7021808 0.84 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL7019218 0.82 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7020167 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7019362 0.78 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015836 0.76 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7018517 0.76 PDE4D (0.72) PDE4APDE4BPDE4CPDE4DKDR

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