SCHEMBL7361949

SCHEMBL7361949

COc1ccc(-c2nn(-c3ccccc3)c(=O)c3cccnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
ADORA3 P0DMS8 3/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PSMB5 P28074 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
KAT2B Q92831 1/20 0.45
ALOX5 P09917 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7365986 0.91 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7367535 0.87 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL9168570 0.87 NPSR1 (0.56) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7366959 0.86 L3MBTL1 (0.58) PDE4APDE4BPDE4CPDE4DCCNA2
SCHEMBL7363944 0.84 ALDH1A1 (0.54) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7367332 0.82 HTT (0.53) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7366074 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL7366676 0.81 NCOA1 (0.48) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL7361460 0.80 NPSR1 (0.49) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL9171183 0.80 NPSR1 (0.58) PDE4APDE4BPDE4CPDE4DNPSR1

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