SCHEMBL9380466

SCHEMBL9380466

COc1cccc(-c2nncc3cccnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
PDE4A P27815 7/20 0.50
PDE4B Q07343 7/20 0.50
PDE4C Q08493 7/20 0.50
PDE4D Q08499 7/20 0.50
TOP1 P11387 1/20 0.50
KCNA5 P22460 1/20 0.48
AURKA O14965 1/20 0.46
PDE10A Q9Y233 1/20 0.43
CYP19A1 P11511 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PIK3CG P48736 1/20 0.43
GLO1 Q04760 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
NOTUM Q6P988 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL9375383 0.85 KDM4E (0.51) CLK4KCNA5AURKAGLO1SLC40A1
SCHEMBL9378645 0.80 GABRG2 (0.44) PDE4APDE4CPDE4DCYP19A1CYP1A2
SCHEMBL9375509 0.79 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DKCNA5
SCHEMBL9376993 0.78 DYRK1A (0.51) DYRK1ACLK4TOP1KCNA5AURKA
SCHEMBL15819347 0.76 PDE4A (0.63) DYRK1ACLK4PDE4APDE4BPDE4C
SCHEMBL9375947 0.74 CCR1 (0.42) TOP1SLC40A1NPC1TP53CYP3A4
SCHEMBL9377158 0.72 DYRK1A (0.54) DYRK1ACLK4PDE4APDE4BPDE4C
SCHEMBL10094648 0.72 DYRK1A (0.62) DYRK1ACLK4TOP1KCNA5AURKA
SCHEMBL28824499 0.72 CLK4 (0.62) DYRK1ACLK4PDE4BTOP1KCNA5
SCHEMBL10094501 0.71 DYRK1A (0.57) DYRK1ACLK4PDE4APDE4BPDE4C

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 1 patent. 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