SCHEMBL7367420

SCHEMBL7367420

COc1cccc(-c2n[nH]c(=O)c3ncccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TTK P33981 1/20 0.48
GAA P10253 1/20 0.48
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48
GSK3B P49841 2/20 0.47
GSK3A P49840 1/20 0.47
NOTUM Q6P988 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TP53 P04637 1/20 0.45
TOP1 P11387 1/20 0.45
SERPINE1 P05121 1/20 0.45
JAK2 O60674 1/20 0.45
GRM4 Q14833 1/20 0.44
GLO1 Q04760 1/20 0.44
AURKA O14965 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
SCHEMBL7370355 0.91 PDE4A (0.48) DYRK1ACLK4TTKGAACLK2
SCHEMBL2886126 0.85 GSK3A (0.52) DYRK1ACLK4GSK3BGSK3APDE4A
SCHEMBL7362607 0.81 MAPK1 (0.53) TTKALDH1A1
SCHEMBL7361843 0.80 PDE4A (0.50) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL7363947 0.80 DCLK1 (0.46) DYRK1ACLK4GAACLK2ALDH1A1
SCHEMBL3652876 0.79 NPSR1 (0.64) DYRK1ACLK4TTKGAACLK2
SCHEMBL4838570 0.79 ENPP1 (0.56) DYRK1ATTKGAAGSK3BGSK3A
SCHEMBL2887372 0.76 KDM4E (0.54) DYRK1ACLK4GAAGSK3BGSK3A
SCHEMBL7366219 0.76 PDE4D (0.58) PDE4APDE4BPDE4CPDE4DTOP1
SCHEMBL7366032 0.75 MAPK1 (0.49) ALDH1A1LMNA

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