SCHEMBL30989873

SCHEMBL30989873

COc1ncc(F)cc1C(=O)N(C)[C@H](C)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.41
▸ MAP3K5 Q99683 1/20 0.39
▸ PIK3C3 Q8NEB9 3/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ GPR6 P46095 1/20 0.35
▸ PTGER4 P35408 2/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL30990044 1.00 MAPK1 (0.41) MAPK1MAP3K5PIK3C3GPBAR1AURKA
SCHEMBL30989968 0.89 HPGD (0.34) MAPK1MAP3K5AURKARPS6KB1AOC3
SCHEMBL30989829 0.89 HPGD (0.34) MAPK1MAP3K5AURKARPS6KB1AOC3
SCHEMBL30989878 0.82 PIK3C3 (0.38) MAP3K5PIK3C3GPBAR1GPR6MEN1
SCHEMBL30989919 0.82 PIK3C3 (0.38) MAP3K5PIK3C3GPBAR1GPR6MEN1
SCHEMBL30989928 0.82 PIK3C3 (0.44) MAP3K5PIK3C3GPBAR1GPR6PTGER4
SCHEMBL30990011 0.82 PIK3C3 (0.44) MAP3K5PIK3C3GPBAR1GPR6PTGER4
SCHEMBL30989809 0.80 PIK3C3 (0.39) MAP3K5PIK3C3GPBAR1GPR6PTGER4
SCHEMBL30989899 0.80 PIK3C3 (0.39) MAP3K5PIK3C3GPBAR1GPR6PTGER4
SCHEMBL30989772 0.80 PTGER4 (0.43) MAPK1PTGER4PTGER2

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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