SCHEMBL22338336

SCHEMBL22338336

CCOC(=O)[C@H]1C(=O)CCN(CC(C)(C)O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
FKBP1A P62942 2/20 0.33
FDFT1 P37268 1/20 0.33
TLR4 O00206 1/20 0.33
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL22323036 1.00 MAPT (0.39) MAPTGAAPKMHTTALDH1A1
SCHEMBL22216464 0.90 MAPT (0.40) MAPTGAAPKMHTTALDH1A1
SCHEMBL22322985 0.86 MAPT (0.36) MAPTGAAPKMHTTALDH1A1
SCHEMBL3367604 0.84 ALDH1A1 (0.39) MAPTGAAPKMALDH1A1MEN1
SCHEMBL8394031 0.79 ALDH1A1 (0.38) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL23907332 0.78 MAPT (0.51) MAPTGAAPKMHTTALDH1A1
SCHEMBL16931294 0.78 NPSR1 (0.36) MAPTALDH1A1MEN1KMT2ATLR4
SCHEMBL16931293 0.78 NPSR1 (0.36) MAPTALDH1A1MEN1KMT2ATLR4
SCHEMBL22206975 0.78 ALDH1A1 (0.39) MAPTGAAHTTALDH1A1HSD17B10
SCHEMBL22207029 0.77 MAPT (0.50) MAPTGAAPKMHTTALDH1A1

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
WO-2020161257-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-13 WO disclosed