SCHEMBL6587107

SCHEMBL6587107

COc1ccc2c(Cl)nncc2c1C#CCCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.71
PDE4A P27815 5/20 0.71
PDE4B Q07343 5/20 0.71
PDE4C Q08493 5/20 0.71
GRM5 P41594 1/20 0.39
EGFR P00533 1/20 0.38
CXCR2 P25025 1/20 0.34
EBP Q15125 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL6586660 0.83 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL6587932 0.79 PDE4A (0.45) PDE4DPDE4APDE4BPDE4CGRM5
SCHEMBL6586028 0.77 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CGRM5
SCHEMBL6585981 0.76 PDE4D (0.70) PDE4DPDE4APDE4BPDE4C
SCHEMBL7987592 0.71 PDE4A (0.52) PDE4DPDE4APDE4BPDE4CGRM5
SCHEMBL6587456 0.71 PDE4A (0.40) PDE4DPDE4APDE4BPDE4CGRM5
SCHEMBL6586114 0.71 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL6587081 0.66 PDE4A (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL6585375 0.64 PDE4A (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL22342553 0.64 GRM5 (0.53) PDE4DPDE4APDE4BPDE4CGRM5

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