SCHEMBL30989900

SCHEMBL30989900

COc1ncc(F)cc1C(=O)N(C)Cc1c(F)cc(F)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 3/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ GPR6 P46095 2/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPGD P15428 1/20 0.32

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 0.84 LRRK2 (0.37) PIK3C3RIPK1MAPTGPR6GPBAR1
SCHEMBL30989869 0.84 LRRK2 (0.37) PIK3C3RIPK1MAPTGPR6GPBAR1
SCHEMBL30989936 0.82 RIPK1 (0.47) PIK3C3RIPK1MAPTGPR6GPBAR1
SCHEMBL30989882 0.77 MEN1 (0.48) PIK3C3RIPK1MAPTMEN1KMT2A
SCHEMBL30989781 0.76 RIPK1 (0.46) PIK3C3RIPK1MAPTGPBAR1MEN1
SCHEMBL30989864 0.75 CLK1 (0.51) RIPK1MEN1KMT2AGAAPOLB
SCHEMBL30989827 0.73 PIK3C3 (0.41) PIK3C3RIPK1MAPTGPR6GPBAR1
SCHEMBL30989901 0.73 RIPK1 (0.46) PIK3C3RIPK1MAPTGPR6MEN1
SCHEMBL2594687 0.73 GPBAR1 (0.41) PIK3C3GPR6GPBAR1MGLL
SCHEMBL30989921 0.72 RIPK1 (0.45) PIK3C3RIPK1MAPTGPR6GPBAR1

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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