SCHEMBL6135714

SCHEMBL6135714

CC(=O)c1cncc(-c2cccc(-n3cc(C(N)=O)c(=O)c4cccnc43)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.64
KCNH2 Q12809 12/20 0.64
PDE4B Q07343 7/20 0.46
PDE4D Q08499 7/20 0.46
PDE4C Q08493 6/20 0.46

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
SCHEMBL6135868 0.87 KCNH2 (0.71) PDE4AKCNH2PDE4BPDE4DPDE4C
SCHEMBL5343664 0.87 PDE4A (0.85) PDE4AKCNH2PDE4BPDE4DPDE4C
SCHEMBL6135783 0.81 PDE4A (0.77) PDE4AKCNH2PDE4BPDE4DPDE4C
SCHEMBL6136063 0.80 PDE4A (0.75) PDE4AKCNH2PDE4BPDE4DPDE4C
SCHEMBL8246869 0.79 PDE4A (0.75) PDE4AKCNH2PDE4BPDE4DPDE4C
SCHEMBL5339454 0.78 PDE4A (1.00) PDE4AKCNH2PDE4BPDE4DPDE4C
SCHEMBL1565705 0.77 PDE4A (1.00) PDE4AKCNH2PDE4BPDE4DPDE4C
SCHEMBL5351268 0.77 PDE4A (0.74) PDE4AKCNH2PDE4BPDE4DPDE4C
SCHEMBL7173464 0.76 PDE4A (0.66) PDE4AKCNH2PDE4BPDE4DPDE4C
SCHEMBL5341376 0.75 PDE4A (0.77) PDE4AKCNH2PDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592419-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION Merck Frosst Canada & Co. (CA) 2005-11-09 EP claimed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO claimed