SCHEMBL6689550

SCHEMBL6689550

COc1ccc(C2=NN(Cc3ccc(NC(=O)c4c[nH]cn4)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.43
PDE4D Q08499 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
ROCK2 O75116 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6842712 0.94 FLT1 (0.41) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6842638 0.92 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6659876 0.87 SMN1; SMN2 (0.54) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6658375 0.87 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6678922 0.87 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6689185 0.86 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6683886 0.86 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6661177 0.86 CCR5 (0.49) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6844123 0.86 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6654648 0.84 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CPDE3B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004076669-A2 CYSTEINE-SUBSTITUTED, FAD-DEPENDENT SULFHYDRYL OXIDASES HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2004-09-10 WO disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed