SCHEMBL7359750

SCHEMBL7359750

COC(=O)c1cc(-c2nn(Cc3ccccc3)c(=O)c3ncccc23)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.50
PDE4B Q07343 5/20 0.50
PDE4C Q08493 5/20 0.50
PDE4D Q08499 5/20 0.50
ALDH1A1 P00352 4/20 0.44
F2RL3 Q96RI0 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
ENPP1 P22413 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL7366365 0.94 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7370274 0.93 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7363886 0.89 KDM4E (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7369736 0.87 TSHR (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL7365395 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7367645 0.85 F2RL3 (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7359391 0.85 MAPK10 (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7363039 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7366174 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7365735 0.81 PDE4A (0.44) 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