SCHEMBL7365986

SCHEMBL7365986

COc1ccc(-c2nn(-c3ccccc3)c(=O)c3ncccc23)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
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
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
KAT2B Q92831 1/20 0.45
ALOX5 P09917 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7361949 0.91 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCCNA2
SCHEMBL7359895 0.87 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL7363896 0.86 L3MBTL1 (0.58) PDE4APDE4BPDE4CPDE4DCCNA2
SCHEMBL7363317 0.84 HPGD (0.57) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL7364737 0.82 HPGD (0.53) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL7366890 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL7367503 0.81 HPGD (0.48) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL7367676 0.80 NPSR1 (0.49) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL7370601 0.80 SRC (0.46) ALDH1A1KDM4EHPGDKAT2BMAPT
SCHEMBL7365028 0.80 KDM4E (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1

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