SCHEMBL2668149

SCHEMBL2668149

Cc1ccccc1-c1ccc2[nH]nc(NC(N)=S)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.47
GSK3A P49840 2/20 0.47
CLK4 Q9HAZ1 3/20 0.47
DAPK3 O43293 2/20 0.47
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
MAPK8 P45983 2/20 0.47
CDK8 P49336 2/20 0.47
CLK2 P49760 2/20 0.47
CDK5 Q00535 2/20 0.47
MAP4K2 Q12851 2/20 0.47
PRKAA1 Q13131 2/20 0.47
DYRK1A Q13627 2/20 0.47
TAOK1 Q7L7X3 2/20 0.47
AURKB Q96GD4 2/20 0.47
PLK4 O00444 1/20 0.47
MAPK13 O15264 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL2660923 0.85 JAK2 (0.62) GSK3BGSK3ACLK4DAPK3PRKD3
SCHEMBL2661688 0.82 MAPT (0.51) GSK3BGSK3ACLK4DAPK3PRKD3
SCHEMBL2661437 0.76 GSK3A (0.54) GSK3BGSK3ACDK2CDK7CDC7
SCHEMBL2660578 0.76 GSK3B (0.46) GSK3BGSK3ADYRK1ACDK2SMN1; SMN2
SCHEMBL5929451 0.75 KDM4E (0.48) CDK2TRPA1SMN1; SMN2MAPTL3MBTL1
SCHEMBL2661388 0.75 CDK7 (0.44) GSK3BGSK3ACLK4DAPK3PRKD3
SCHEMBL2661291 0.75 CDC7 (0.41) GSK3BGSK3ACLK4DAPK3PRKD3
SCHEMBL2661883 0.74 GSK3B (0.54) GSK3BGSK3ACLK4DAPK3MAPK8
SCHEMBL2661306 0.74 LRRK2 (0.45) GSK3BGSK3ACLK4DAPK3PRKD3
SCHEMBL2660239 0.74 AXL (0.54) GSK3BCLK2DYRK1APRMT5WDR77

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
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed