SCHEMBL29070845

SCHEMBL29070845

CC(C)(C)OC(=O)Nc1cc(C=NO)ncn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAP4K4 O95819 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
MIF P14174 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATR Q13535 1/20 0.34
MAPT P10636 1/20 0.34
NAMPT P43490 1/20 0.33
CDK1 P06493 1/20 0.33
SCN9A Q15858 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL29070848 1.00 KDM4E (0.41) KDM4EL3MBTL1ALOX15GSK3BDYRK1A
SCHEMBL798703 0.85 L3MBTL1 (0.41) L3MBTL1GSK3BDYRK1AMAP4K4AAK1
SCHEMBL798464 0.83 L3MBTL1 (0.40) L3MBTL1GSK3BDYRK1AMAP4K4AAK1
SCHEMBL17362851 0.78 MKNK2 (0.39) L3MBTL1GSK3BDYRK1AMAP4K4AAK1
SCHEMBL17362852 0.78 MKNK2 (0.39) L3MBTL1GSK3BDYRK1AMAP4K4AAK1
SCHEMBL19890987 0.77 L3MBTL1 (0.44) L3MBTL1GSK3BDYRK1AMAP4K4AAK1
SCHEMBL18805591 0.77 ATR (0.45) L3MBTL1GSK3BDYRK1AMAP4K4AAK1
SCHEMBL29400652 0.77 ATR (0.45) L3MBTL1GSK3BDYRK1AMAP4K4AAK1
SCHEMBL18814953 0.77 L3MBTL1 (0.49) L3MBTL1GSK3BDYRK1AMAP4K4AAK1
SCHEMBL18805592 0.77 L3MBTL1 (0.68) L3MBTL1GSK3BDYRK1AMAP4K4AAK1

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-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 CN disclosed