SCHEMBL6587943

SCHEMBL6587943

COc1ccc2c(C(=O)c3c(Cl)cncc3Cl)nnc(-c3nccs3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.64
PDE4B Q07343 7/20 0.64
PDE4C Q08493 7/20 0.64
PDE4D Q08499 7/20 0.64
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
ECE1 P42892 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGDS O60760 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
DHODH Q02127 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
SCHEMBL6589533 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DBDKRB2
SCHEMBL6585740 0.75 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DECE1
SCHEMBL6585696 0.74 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DABL1
SCHEMBL6591289 0.74 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DECE1
SCHEMBL6683469 0.74 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588117 0.74 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DABL1
SCHEMBL6589117 0.72 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6584319 0.71 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6587163 0.71 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DABL1
SCHEMBL15665976 0.67 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DABL1

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