SCHEMBL6587456

SCHEMBL6587456

COc1ccc2c(Cl)nncc2c1C#Cc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.40
PDE4B Q07343 6/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
SRC P12931 1/20 0.37
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP17A1 P05093 1/20 0.33
PDE5A O76074 6/20 0.32
GRM5 P41594 3/20 0.32
KCNH2 Q12809 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CHRM2 P08172 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL6587932 0.88 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DSRC
SCHEMBL6586115 0.81 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584106 0.73 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DSRC
SCHEMBL7983133 0.73 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DCYP17A1
SCHEMBL6585375 0.72 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587107 0.71 PDE4D (0.71) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL26259628 0.66 KCNH2 (0.51) GRM5KCNH2
SCHEMBL7446753 0.62 PDE4B (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL13907339 0.62 HDAC8 (0.50) GRM5CHRM2SIGMAR1
SCHEMBL6586114 0.61 PDE4D (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP disclosed
US-6492360-B1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-12-10 US disclosed
EP-1097142-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-05-09 EP disclosed
WO-2000005218-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-02-03 WO disclosed