SCHEMBL6586166

SCHEMBL6586166

COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Nc3nccs3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.69
PDE4B Q07343 9/20 0.69
PDE4C Q08493 9/20 0.69
PDE4D Q08499 9/20 0.69
KDR P35968 7/20 0.40
SHMT2 P34897 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDGFRB P09619 2/20 0.39
KIT P10721 2/20 0.39
FLT1 P17948 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
NCOA2 Q15596 1/20 0.37

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
SCHEMBL6589533 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6627680 0.80 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL6587708 0.78 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL6587900 0.77 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL4701651 0.77 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6589078 0.77 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6589991 0.77 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587423 0.74 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587710 0.73 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585568 0.73 PDE4A (0.67) 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 3 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