SCHEMBL28880985

SCHEMBL28880985

CC(C)(C)OC(=O)OCc1cc(Br)c2ccn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BUB1 O43683 1/20 0.33
AKT1 P31749 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PIK3CA P42336 2/20 0.32
PIK3R1 P27986 1/20 0.32
NR1H2 P55055 1/20 0.31
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
EPHB4 P54760 1/20 0.31
PRKDC P78527 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
SCHEMBL3339983 0.78 PIK3CA (0.38) HTR6L3MBTL1BUB1AKT1HSP90AA1
SCHEMBL28880984 0.75 BUB1 (0.34) HTR6L3MBTL1BUB1AKT1HSP90AA1
SCHEMBL17113072 0.75 UCHL1 (0.41) HTR6L3MBTL1BUB1PIK3CAPIK3R1
SCHEMBL29507058 0.73 L3MBTL1 (0.44) HTR6L3MBTL1BUB1AKT1HSP90AA1
SCHEMBL1284244 0.73 L3MBTL1 (0.44) HTR6L3MBTL1BUB1AKT1HSP90AA1
SCHEMBL14029835 0.72 L3MBTL1 (0.40) HTR6L3MBTL1BUB1AKT1HSP90AA1
SCHEMBL25338447 0.72 ACHE (0.43)
SCHEMBL2127172 0.71 BUB1 (0.38) HTR6L3MBTL1BUB1AKT1HSP90AA1
SCHEMBL29830789 0.71 BUB1 (0.38) HTR6L3MBTL1BUB1AKT1HSP90AA1
SCHEMBL26683889 0.71 BUB1 (0.38) HTR6L3MBTL1BUB1AKT1HSP90AA1

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-115135659-B Morpholine derivative, and preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-03-12 CN disclosed
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN disclosed
WO-2022152229-A1 CLASS OF MORPHOLINE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-07-21 WO disclosed