SCHEMBL23638482

SCHEMBL23638482

Cn1c(CCC#N)nc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
LPL P06858 8/20 0.35
LIPG Q9Y5X9 8/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SNCA P37840 1/20 0.33
MAPT P10636 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARG P37231 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR1 O14842 1/20 0.31
PDE10A Q9Y233 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL23638468 0.84 IRAK4 (0.39) IRAK4LPLLIPGIDO1TDO2
SCHEMBL17673811 0.82 SNCA (0.38) IRAK4LPLLIPGIDO1TDO2
SCHEMBL17678259 0.82 IRAK4 (0.38) IRAK4LPLLIPGIDO1TDO2
SCHEMBL23638264 0.82 IRAK4 (0.40) ESR2IRAK4LPLLIPGIDO1
SCHEMBL17678253 0.81 LMNA (0.48) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23638463 0.80 IRAK4 (0.39) ESR2IRAK4LPLLIPGIDO1
SCHEMBL29837912 0.80 L3MBTL1 (0.40) IRAK4LPLLIPGIDO1TDO2
SCHEMBL28807179 0.80 L3MBTL1 (0.40) IRAK4LPLLIPGIDO1TDO2
SCHEMBL23638435 0.80 ALDH1A1 (0.36) IRAK4LPLLIPGIDO1TDO2
SCHEMBL17678254 0.79 KDM4E (0.48) IRAK4MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901664-B Pyridone compounds and uses thereof 南京再明医药有限公司 2024-07-02 CN disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 CN disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed