SCHEMBL31380404

SCHEMBL31380404

CC(C)(C)OC(=O)NCc1ccc(-c2nc(Cl)ncc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.53
STK17A Q9UEE5 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.46
NAMPT P43490 4/20 0.45
ATR Q13535 1/20 0.44
HDAC1 Q13547 1/20 0.42
GRM2 Q14416 1/20 0.42
PDK1 Q15118 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPN P05981 1/20 0.41
KDM4A O75164 1/20 0.40
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40

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
SCHEMBL16585641 0.90 PDK1 (0.51) STK17BSTK17AL3MBTL1GAANAMPT
SCHEMBL16585497 0.84 PDK1 (0.47) STK17BSTK17AL3MBTL1NAMPTPDK1
SCHEMBL6508416 0.82 STK17B (0.49) STK17BSTK17ACKS1BSKP1SKP2
SCHEMBL6508410 0.80 STK17B (0.46) STK17BSTK17ACKS1BSKP1SKP2
SCHEMBL12921676 0.80 AAK1 (0.53) STK17BSTK17AL3MBTL1GAANAMPT
SCHEMBL1585183 0.78 STK17B (0.52) STK17BSTK17AL3MBTL1GAANAMPT
SCHEMBL16038520 0.78 GAA (0.52) L3MBTL1GAANAMPTATRHDAC1
SCHEMBL3180689 0.76 L3MBTL1 (0.61) L3MBTL1GAANAMPTHDAC1MAPT
SCHEMBL506742 0.76 L3MBTL1 (0.53) STK17BSTK17AL3MBTL1GAANAMPT
SCHEMBL16793957 0.76 STK17B (0.44) STK17BSTK17APDK1KDM4A

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-2025011445-A1 PYRIMIDINAMINE NUAK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 特科罗生物科技(成都)有限公司 2025-01-16 WO disclosed