SCHEMBL3797990

SCHEMBL3797990

c1ccc(Nc2nc(-c3ccc4[nH]ncc4c3)c[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.62
GSK3B P49841 8/20 0.62
AURKB Q96GD4 8/20 0.62
PIM1 P11309 6/20 0.62
DYRK1A Q13627 5/20 0.62
ROCK1 Q13464 5/20 0.62
CLK2 P49760 4/20 0.62
CLK4 Q9HAZ1 4/20 0.62
RPS6KB1 P23443 4/20 0.62
CDK2 P24941 4/20 0.62
GSK3A P49840 4/20 0.62
PKN2 Q16513 3/20 0.62
MKNK2 Q9HBH9 3/20 0.62
STK17A Q9UEE5 3/20 0.62
CSNK2A1 P68400 3/20 0.62
PRKD2 Q9BZL6 3/20 0.62
SGK2 Q9HBY8 3/20 0.62
DYRK3 O43781 2/20 0.62
PRKD3 O94806 2/20 0.62
MAP4K4 O95819 2/20 0.62

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
SCHEMBL3637752 0.77 ROCK2 (1.00) ROCK2GSK3BAURKBPIM1DYRK1A
SCHEMBL24137790 0.75 CCNC (0.63) ROCK2GSK3BAURKBPIM1DYRK1A
SCHEMBL2455100 0.73 GSK3B (1.00) ROCK2GSK3BAURKBPIM1DYRK1A
SCHEMBL17856787 0.72 ABL1 (0.57) CLK4ATRMAPK1CDC7AURKA
SCHEMBL3671375 0.70 ROCK2 (1.00) ROCK2GSK3BAURKBPIM1DYRK1A
SCHEMBL30805622 0.70 GSK3B (0.63) ROCK2GSK3BAURKBPIM1DYRK1A
SCHEMBL17860575 0.70 MAPT (0.55) CLK4KDRCLK1MAPK1JAK2
SCHEMBL3670035 0.69 ROCK2 (0.66) ROCK2GSK3BAURKBPIM1DYRK1A
SCHEMBL2457760 0.69 GSK3B (0.66) ROCK2GSK3BAURKBPIM1DYRK1A
SCHEMBL2145233 0.68 JAK2 (0.49) ROCK2GSK3BAURKBPIM1DYRK1A

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-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO disclosed