SCHEMBL7368362

SCHEMBL7368362

O=C(O)c1ccc(-c2nn(Cc3ccncc3)c(=O)c3ncccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
RORC P51449 4/20 0.49
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
HTT P42858 1/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
F2RL3 Q96RI0 1/20 0.43

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
SCHEMBL7365466 0.93 ALDH1A1 (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364240 0.91 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7367921 0.90 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369760 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369005 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364065 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7362202 0.85 ALDH1A1 (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7361626 0.84 ALDH1A1 (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370613 0.84 HPGD (0.52) PDE4APDE4BPDE4CPDE4DRORC
SCHEMBL7361643 0.83 PDE4A (0.54) 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