SCHEMBL7364996

SCHEMBL7364996

CN(C)C(=O)c1ccc(-c2nn(Cc3ccncc3)c(=O)c3cccnc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.61
PDE4B Q07343 2/20 0.61
PDE4C Q08493 2/20 0.61
PDE4D Q08499 2/20 0.61
PDE3B Q13370 1/20 0.61
PDE3A Q14432 1/20 0.61
ALDH1A1 P00352 7/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
NAMPT P43490 1/20 0.41
CYP1A2 P05177 6/20 0.41
CYP3A4 P08684 6/20 0.41
CYP2C19 P33261 5/20 0.41
CYP2C9 P11712 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 5/20 0.41
HPGD P15428 5/20 0.41
MEN1 O00255 4/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL7365955 0.93 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369760 0.92 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366902 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364240 0.88 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366350 0.87 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368776 0.86 NCOA1 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363603 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363597 0.85 ALDH1A1 (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7362892 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7362478 0.83 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed