SCHEMBL6972463

SCHEMBL6972463

[CH2]OC(=O)c1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
TYMS P04818 1/20 0.47
GRM5 P41594 2/20 0.44
P4HB P07237 2/20 0.43
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ENPP2 Q13822 1/20 0.42
VNN1 O95497 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL7650287 0.85 GSK3B (0.59) GSK3BTYMSGRM5P4HBCLK1
SCHEMBL5652160 0.85 GSK3B (0.59) GSK3BTYMSGRM5P4HBCLK1
SCHEMBL30444713 0.82 MRGPRX4 (0.56) GSK3BGRM5P4HBMRGPRX4
SCHEMBL60040 0.82 MRGPRX4 (0.56) GSK3BGRM5P4HBMRGPRX4
SCHEMBL17460156 0.82 GSK3B (0.56) GSK3BTYMSGRM5P4HBCLK1
SCHEMBL10987144 0.81 GSK3B (0.55) GSK3BTYMSGRM5CLK1DYRK1A
SCHEMBL7656344 0.81 F2 (0.59) GSK3BTYMSGRM5CLK1DYRK1A
SCHEMBL5652166 0.81 GSK3B (0.54) GSK3BTYMSGRM5VNN1IRAK4
SCHEMBL2500188 0.79 GSK3B (0.61) GSK3BGRM5P4HBCLK1DYRK1A
SCHEMBL31384418 0.79 GSK3B (0.57) GSK3BTYMSGRM5VNN1MEN1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed