SCHEMBL4083136

SCHEMBL4083136

N#Cc1cccc([C](c2cccc(C#N)c2)c2cccc(C#N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.58
ENPP2 Q13822 1/20 0.52
CLK4 Q9HAZ1 1/20 0.48
TSHR P16473 1/20 0.46
GRM5 P41594 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
P4HB P07237 1/20 0.42
S1PR3 Q99500 1/20 0.42
VNN1 O95497 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
IDO1 P14902 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KAT6A Q92794 1/20 0.41

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
SCHEMBL4169583 0.83 GSK3B (0.61) GSK3BENPP2CLK4GRM5ALDH1A1
SCHEMBL11808658 0.82 GSK3B (0.55) GSK3BENPP2CLK4TSHRGRM5
SCHEMBL16502093 0.80 GSK3B (0.53) GSK3BENPP2CLK4TSHRGRM5
SCHEMBL60691 0.80 GSK3B (0.62) GSK3BGRM5
SCHEMBL2164429 0.80 GSK3B (0.62) GSK3BENPP2CLK4GRM5ALDH1A1
SCHEMBL6205127 0.80 GSK3B (0.53) GSK3BENPP2CLK4TSHRGRM5
SCHEMBL29441888 0.80 GSK3B (0.62) GSK3BGRM5
SCHEMBL9289 0.79 TSHR (0.61) GSK3BENPP2CLK4TSHRGRM5
SCHEMBL2817154 0.79 TSHR (0.61) GSK3BENPP2CLK4TSHRGRM5
Water SCHEMBL28137572 0.79 TSHR (0.61) GSK3BENPP2CLK4TSHRGRM5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048167-A2 First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048168-A2 Process for producing catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
US-6914108-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed