SCHEMBL29925849

SCHEMBL29925849

C[C@@H]1CCNC(=O)COc2cncc(c2)-c2n[nH]c3ccc(cc23)O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.39
CLK2 P49760 2/20 0.39
CLK3 P49761 2/20 0.39
DYRK1A Q13627 2/20 0.39
LRRK2 Q5S007 9/20 0.34
MAP2K4 P45985 2/20 0.34
PIM1 P11309 3/20 0.33
AXL P30530 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
MAPK6 Q16659 1/20 0.32
MAPKAPK5 Q8IW41 1/20 0.32
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL29925496 1.00 GSK3B (0.39) GSK3BCLK2CLK3DYRK1ALRRK2
SCHEMBL27031843 1.00 GSK3B (0.39) GSK3BCLK2CLK3DYRK1ALRRK2
SCHEMBL27031742 1.00 GSK3B (0.39) GSK3BCLK2CLK3DYRK1ALRRK2
SCHEMBL27031805 0.84 PIM1 (0.38) GSK3BDYRK1ALRRK2MAP2K4PIM1
SCHEMBL27031746 0.84 PIM1 (0.38) GSK3BDYRK1ALRRK2MAP2K4PIM1
SCHEMBL29925747 0.84 PIM1 (0.38) GSK3BDYRK1ALRRK2MAP2K4PIM1
SCHEMBL29925447 0.84 PIM1 (0.38) GSK3BDYRK1ALRRK2MAP2K4PIM1
SCHEMBL29925683 0.84 PIM1 (0.38) GSK3BDYRK1ALRRK2MAP2K4PIM1
SCHEMBL27031824 0.84 PIM1 (0.38) GSK3BDYRK1ALRRK2MAP2K4PIM1
SCHEMBL24013002 0.83 GSK3B (0.34) GSK3BCLK2CLK3DYRK1ALRRK2

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 4 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
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO claimed
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed