SCHEMBL7366158

SCHEMBL7366158

COc1cccc(-c2nn(Cc3ccncc3)c(=O)c3cccnc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.74
PDE4B Q07343 4/20 0.74
PDE4C Q08493 4/20 0.74
PDE4D Q08499 4/20 0.74
PDE3B Q13370 1/20 0.74
PDE3A Q14432 1/20 0.74
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KAT2B Q92831 1/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
SLC16A3 O15427 1/20 0.42

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
SCHEMBL7366870 0.93 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7361958 0.92 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365157 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365112 0.88 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365100 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364942 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370925 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368670 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368038 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368065 0.84 PDE4A (0.78) 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