SCHEMBL6962406

SCHEMBL6962406

COc1ccc(C2=NN(Cc3ccccc3NC(=O)c3ncccn3)C(=O)OC2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
CFTR P13569 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6658910 0.92 SMN1; SMN2 (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6686004 0.89 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6656468 0.88 KMT2A (0.45) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6686322 0.88 KMT2A (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL147709 0.87 AAK1 (0.50) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6654761 0.87 NPSR1 (0.51) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6689185 0.86 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6654581 0.86 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6658092 0.86 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6661702 0.86 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DPDE3B

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-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