SCHEMBL29064834

SCHEMBL29064834

O=C(O)Nc1ccc(-c2cccnc2)cc1NCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 4/20 0.47
ABCB1 P08183 4/20 0.47
MKNK1 Q9BUB5 3/20 0.47
CNR2 P34972 2/20 0.45
GSK3B P49841 2/20 0.45
DYRK3 O43781 1/20 0.45
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
PIM1 P11309 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT2 P31751 1/20 0.45
FLT4 P35916 1/20 0.45
CDK8 P49336 1/20 0.45
CLK2 P49760 1/20 0.45
IRAK1 P51617 1/20 0.45
LIMK1 P53667 1/20 0.45

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
SCHEMBL29530372 0.84 MKNK2 (0.44) MKNK2ABCB1MKNK1CNR2GSK3B
SCHEMBL24335569 0.84 MKNK2 (0.44) MKNK2ABCB1MKNK1CNR2GSK3B
SCHEMBL29064869 0.82 MKNK1 (0.43) MKNK2ABCB1MKNK1CNR2CLK2
SCHEMBL24335570 0.80 HDAC1 (0.51) MKNK2MKNK1GSK3BDYRK3JAK2
Hydrochloric Acid SCHEMBL30516488 0.79 HDAC1 (0.50) MKNK2MKNK1GSK3BDYRK3JAK2
Hydrochloric Acid SCHEMBL29064840 0.79 HDAC1 (0.50) MKNK2MKNK1GSK3BDYRK3JAK2
SCHEMBL2465121 0.76 ABCB1 (0.57) MKNK2ABCB1MKNK1PIM1HDAC1
SCHEMBL28842381 0.74 HDAC1 (0.49) MKNK2ABCB1MKNK1HDAC1KMO
SCHEMBL7466534 0.72 ABCB1 (0.64) ABCB1
SCHEMBL24335577 0.71 NAMPT (0.41) MKNK2ABCB1MKNK1CNR2CLK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed