SCHEMBL7016945

SCHEMBL7016945

CCc1cc2c(OC(=O)Nc3c(C#N)cnn3C)cnc(OC)c2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.52
PDE4B Q07343 9/20 0.52
PDE4C Q08493 9/20 0.52
PDE4D Q08499 9/20 0.52
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MALT1 Q9UDY8 2/20 0.30
CSNK2A1 P68400 1/20 0.30
CACNA1H O95180 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
SCHEMBL7015219 0.90 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7014555 0.81 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7016598 0.79 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL7020449 0.76 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL7021594 0.76 PDE4D (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7020430 0.75 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL7019218 0.75 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7020167 0.74 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7018517 0.74 PDE4D (0.72) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7021808 0.73 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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