SCHEMBL27031900

SCHEMBL27031900

O=C1COc2cc(F)cc(c2)-c2n[nH]c3ccc(cc23)OCCCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.35
DYRK1A Q13627 3/20 0.35
CLK2 P49760 2/20 0.35
CLK3 P49761 1/20 0.35
NTRK1 P04629 6/20 0.34
HTR2A P28223 1/20 0.33
LRRK2 Q5S007 2/20 0.32
MAPK1 P28482 2/20 0.31
MAP2K4 P45985 2/20 0.31
MAPKAPK2 P49137 2/20 0.31
MAPKAPK3 Q16644 2/20 0.31
MAPK6 Q16659 2/20 0.31
MAPKAPK5 Q8IW41 1/20 0.31
CSNK1D P48730 2/20 0.31
DCLK1 O15075 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CHEK2 O96017 1/20 0.31
CSF1R P07333 1/20 0.31
FER P16591 1/20 0.31

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
SCHEMBL29925477 1.00 GSK3B (0.35) GSK3BDYRK1ACLK2CLK3NTRK1
SCHEMBL29925226 0.88 GSK3B (0.37) GSK3BDYRK1ACLK2CLK3HTR2A
SCHEMBL27031818 0.88 GSK3B (0.37) GSK3BDYRK1ACLK2CLK3HTR2A
SCHEMBL27031770 0.88 MAP2K4 (0.38) GSK3BDYRK1ACLK2CLK3LRRK2
SCHEMBL27031905 0.88 DYRK1A (0.38) GSK3BDYRK1ACLK2CLK3HTR2A
SCHEMBL29925821 0.87 MAP2K4 (0.38) GSK3BDYRK1ACLK2CLK3LRRK2
SCHEMBL27031755 0.87 MAP2K4 (0.38) GSK3BDYRK1ACLK2CLK3LRRK2
SCHEMBL29925328 0.86 GSK3B (0.44) GSK3BDYRK1ACLK2CLK3MAPK1
SCHEMBL27032504 0.86 GSK3B (0.44) GSK3BDYRK1ACLK2CLK3MAPK1
SCHEMBL29925556 0.84 GSK3B (0.35) GSK3BDYRK1ACLK2CLK3NTRK1

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