SCHEMBL29675909

SCHEMBL29675909

CC(=O)NC(C)(C)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 3/20 0.41
NR1H4 Q96RI1 1/20 0.40
GSK3B P49841 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
NOTUM Q6P988 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL1900108 0.83 GAA (0.57) GAAMAPTALDH1A1ACACBL3MBTL1
SCHEMBL29938579 0.82 VNN1 (0.43) VNN1PDK1PDK2PDK3PDK4
SCHEMBL29675607 0.80 ACACB (0.55) MAPTMEN1ALDH1A1KMT2AACACB
SCHEMBL16906331 0.77 HSD17B10 (0.49) GAAMAPTMEN1KMT2AL3MBTL1
SCHEMBL20738625 0.76 USP36 (0.49) VNN1GAAALDH1A1L3MBTL1LMNA
SCHEMBL20738592 0.76 KCNN4 (0.50) GAAMAPTL3MBTL1TSHRHTT
SCHEMBL29676217 0.76 KCNN4 (0.50) GAAMAPTL3MBTL1TSHRHTT
SCHEMBL3937789 0.76 SGK1 (0.47) VNN1PDK1PDK2PDK3PDK4
SCHEMBL25460805 0.75 PDK1 (0.48) VNN1PDK1PDK2PDK3PDK4
SCHEMBL4700026 0.75 CNR2 (0.50) VNN1PDK1PDK2PDK3PDK4

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
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN claimed
CN-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 CN disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed