SCHEMBL6681005

SCHEMBL6681005

COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3cccc(C=CC(=O)O)c3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.70
PDE4B Q07343 10/20 0.70
PDE4C Q08493 10/20 0.70
PDE4D Q08499 10/20 0.70
PIM2 Q9P1W9 8/20 0.42
PIM1 P11309 2/20 0.42
ESR1 P03372 1/20 0.39
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL6683041 1.00 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPIM2
SCHEMBL6688261 0.90 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL4699816 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL6683469 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPIM2
SCHEMBL6685741 0.83 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL6683024 0.83 PDE4A (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586085 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6686882 0.82 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6681398 0.82 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL6683381 0.82 PDE4A (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004056798-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2004-07-08 WO claimed
WO-2004056798-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2004-07-08 WO disclosed