SCHEMBL7370355

SCHEMBL7370355

COc1cccc(-c2n[nH]c(=O)c3cccnc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
DYRK1A Q13627 2/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TTK P33981 1/20 0.47
GAA P10253 1/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.45
TOP1 P11387 1/20 0.44
JAK2 O60674 1/20 0.44
SERPINE1 P05121 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
SCHEMBL7367420 0.91 DYRK1A (0.49) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL2887372 0.86 KDM4E (0.54) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL7365583 0.81 MAPK1 (0.55) PDE4APDE4BPDE4CPDE4DTTK
SCHEMBL7370628 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL1249841 0.81 AURKA (0.54) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL7366347 0.81 PARP1 (0.46) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL4838570 0.80 ENPP1 (0.56) PDE4APDE4BPDE4CPDE4DDYRK1A
SCHEMBL1252689 0.80 PARP1 (0.43) PDE4APDE4BPDE4CPDE4DTTK
SCHEMBL1251253 0.80 NPSR1 (0.67) TTKGAAALDH1A1KDM4ENPC1
SCHEMBL9169239 0.78 PIM1 (0.55) NOTUMALDH1A1KDM4EGRM4LMNA

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