SCHEMBL30989869

SCHEMBL30989869

COc1ncc(F)cc1C(=O)N(C)Cc1c(F)cc(F)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.37
▸ GPR6 P46095 7/20 0.37
▸ PIK3C3 Q8NEB9 2/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ RET P07949 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MGLL Q99685 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
SCHEMBL30989880 1.00 LRRK2 (0.37) LRRK2GPR6PIK3C3RIPK1MAPT
SCHEMBL30989900 0.84 PIK3C3 (0.38) GPR6PIK3C3RIPK1MAPTGPBAR1
SCHEMBL30989884 0.81 NPC1 (0.46) GPR6GPBAR1GAA
SCHEMBL30989936 0.77 RIPK1 (0.47) GPR6PIK3C3RIPK1MAPTGPBAR1
SCHEMBL30989882 0.75 MEN1 (0.48) PIK3C3RIPK1MAPTPDE4APDE4B
SCHEMBL30989856 0.75 GPR6 (0.40) LRRK2GPR6PIK3C3GPBAR1GAA
SCHEMBL30989781 0.73 RIPK1 (0.46) PIK3C3RIPK1MAPTGPBAR1PDE4A
SCHEMBL30989864 0.73 CLK1 (0.51) RIPK1GAA
SCHEMBL30989737 0.72 PIK3C3 (0.37) LRRK2GPR6PIK3C3RIPK1GPBAR1
SCHEMBL30989827 0.71 PIK3C3 (0.41) GPR6PIK3C3RIPK1MAPTGPBAR1

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-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 — — EP disclosed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 — — WO disclosed
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