SCHEMBL30989909

SCHEMBL30989909

COc1ncc(Cl)cc1C(=O)N(C)Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ SCD5 Q86SK9 1/20 0.46
▸ RIPK1 Q13546 2/20 0.45
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSP90AA1 P07900 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ HSD17B1 P14061 2/20 0.41
▸ HSD17B2 P37059 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL30989864 0.90 CLK1 (0.51) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL30989886 0.89 CLK1 (0.44) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL30989923 0.89 ALDH1A1 (0.47) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL30989930 0.88 HSP90AA1 (0.52) DYRK1AHPGDALDH1A1MEN1KMT2A
SCHEMBL30989832 0.87 TSPO (0.43) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL30989813 0.87 CLK1 (0.43) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL30989786 0.84 RXFP1 (0.45) RIPK1ALDH1A1MEN1KMT2APOLB
SCHEMBL30989921 0.83 RIPK1 (0.45) RIPK1ALDH1A1
SCHEMBL30989848 0.82 MAPT (0.43) ALDH1A1MEN1KMT2AHSP90AA1POLB
SCHEMBL30989967 0.82 RIPK1 (0.44) RIPK1ALDH1A1MEN1KMT2AHSP90AA1

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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