SCHEMBL29925447

SCHEMBL29925447

C[C@@H]1CCNCCOc2cncc(c2)-c2n[nH]c3ccc(cc23)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.38
GSK3B P49841 2/20 0.38
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
LRRK2 Q5S007 5/20 0.37
DYRK1A Q13627 2/20 0.36
AXL P30530 3/20 0.35
MAP2K4 P45985 2/20 0.35
WNT1 P04628 1/20 0.35
MAPK1 P28482 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33
MAPKAPK5 Q8IW41 1/20 0.33

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
SCHEMBL29925747 1.00 PIM1 (0.38) PIM1GSK3BPIM3PIM2LRRK2
SCHEMBL27031746 1.00 PIM1 (0.38) PIM1GSK3BPIM3PIM2LRRK2
SCHEMBL27031805 1.00 PIM1 (0.38) PIM1GSK3BPIM3PIM2LRRK2
SCHEMBL27031824 1.00 PIM1 (0.38) PIM1GSK3BPIM3PIM2LRRK2
SCHEMBL29925683 1.00 PIM1 (0.38) PIM1GSK3BPIM3PIM2LRRK2
SCHEMBL31023367 0.89 AXL (0.41) PIM1PIM3PIM2LRRK2DYRK1A
SCHEMBL29925800 0.89 AXL (0.41) PIM1PIM3PIM2LRRK2DYRK1A
SCHEMBL29925849 0.84 GSK3B (0.39) PIM1GSK3BPIM3PIM2LRRK2
SCHEMBL29925496 0.84 GSK3B (0.39) PIM1GSK3BPIM3PIM2LRRK2
SCHEMBL27031742 0.84 GSK3B (0.39) PIM1GSK3BPIM3PIM2LRRK2

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