SCHEMBL27031908

SCHEMBL27031908

O=C1CCc2cccc(c2)-c2n[nH]c3ccc(cc23)OCCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.46
DYRK1A Q13627 10/20 0.46
CLK2 P49760 4/20 0.46
CLK3 P49761 3/20 0.46
IRAK4 Q9NWZ3 4/20 0.36
IRAK1 P51617 3/20 0.36
DCLK1 O15075 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
CSF1R P07333 1/20 0.36
FER P16591 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK1G2 P78368 1/20 0.36

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
SCHEMBL29925758 1.00 GSK3B (0.46) GSK3BDYRK1ACLK2CLK3IRAK4
SCHEMBL29925229 0.86 GSK3B (0.46) GSK3BDYRK1ACLK2CLK3MAP2K4
SCHEMBL29925276 0.86 GSK3B (0.48) GSK3BDYRK1ACLK2CLK3IRAK4
SCHEMBL27031794 0.86 GSK3B (0.48) GSK3BDYRK1ACLK2CLK3IRAK4
SCHEMBL29925556 0.85 GSK3B (0.35) GSK3BDYRK1ACLK2CLK3IRAK4
SCHEMBL24012463 0.85 GSK3B (0.40) GSK3BDYRK1ACLK2CLK3IRAK4
SCHEMBL30242524 0.85 GSK3B (0.40) GSK3BDYRK1ACLK2CLK3IRAK4
SCHEMBL27032504 0.85 GSK3B (0.44) GSK3BDYRK1ACLK2CLK3IRAK4
SCHEMBL29925328 0.85 GSK3B (0.44) GSK3BDYRK1ACLK2CLK3IRAK4
SCHEMBL30242465 0.82 GSK3B (0.41) GSK3BDYRK1ACLK2CLK3IRAK4

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-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP claimed
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed