SCHEMBL7370925

SCHEMBL7370925

COc1cccc(-c2nn(Cc3ccccc3)c(=O)c3ncccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.55
PDE4B Q07343 5/20 0.55
PDE4C Q08493 5/20 0.55
PDE4D Q08499 5/20 0.55
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
ALDH1A1 P00352 5/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
KMT2A Q03164 1/20 0.49
SLC16A3 O15427 1/20 0.48
SLC16A1 P53985 1/20 0.48
MCTS1 Q9ULC4 1/20 0.48
KAT2B Q92831 1/20 0.47
PDE5A O76074 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46

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
SCHEMBL7361958 0.93 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366870 0.92 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366890 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7367898 0.87 TBXAS1 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369761 0.85 ALDH1A1 (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366044 0.85 TP53 (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363442 0.85 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366158 0.84 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7359391 0.84 MAPK10 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369583 0.84 ALDH1A1 (0.56) 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