SCHEMBL6587932

SCHEMBL6587932

COc1ccc2c(Cl)nncc2c1C#Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.45
PDE4B Q07343 6/20 0.45
PDE4C Q08493 6/20 0.45
PDE4D Q08499 6/20 0.45
GRM5 P41594 5/20 0.42
KCNH2 Q12809 2/20 0.42
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
EGFR P00533 2/20 0.38
SRC P12931 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
HAO1 Q9UJM8 1/20 0.33

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
SCHEMBL6587456 0.88 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL6585375 0.80 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL26259628 0.80 KCNH2 (0.51) GRM5KCNH2PDGFRBPDGFRAEGFR
SCHEMBL6587107 0.79 PDE4D (0.71) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL6586957 0.73 GRM5 (0.41) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL26259291 0.71 MAPT (0.53) GRM5KCNH2PDGFRBPDGFRAEGFR
SCHEMBL26259614 0.71 GRM5 (0.47) GRM5KCNH2PDGFRBPDGFRAEGFR
SCHEMBL6586115 0.70 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586114 0.70 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL26259316 0.69 CYP1A2 (0.46) GRM5KCNH2PDGFRBPDGFRAEGFR

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 5 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
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 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