SCHEMBL20095391

SCHEMBL20095391

COc1cc(NC(=O)OC(C)(C)C)c(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
ATR Q13535 1/20 0.38
PABPC1 P11940 1/20 0.37
AAK1 Q2M2I8 4/20 0.37
RXFP1 Q9HBX9 1/20 0.36
METAP1 P53582 1/20 0.36
NNMT P40261 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LCK P06239 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL20095986 0.89 MEN1 (0.38) MEN1KMT2AMAPTATRPABPC1
SCHEMBL15511586 0.87 AAK1 (0.39) MEN1KMT2AATRAAK1RXFP1
SCHEMBL18256230 0.84 NNMT (0.43) MEN1KMT2AATRPABPC1AAK1
SCHEMBL24157078 0.83 ATR (0.42) ATRAAK1RXFP1METAP1LCK
SCHEMBL31493121 0.83 ATR (0.42) ATRAAK1RXFP1METAP1LCK
SCHEMBL7681674 0.82 NNMT (0.47) MEN1KMT2AATRPABPC1AAK1
SCHEMBL35210910 0.82 AAK1 (0.41) MEN1KMT2AATRAAK1RXFP1
SCHEMBL29713519 0.82 NNMT (0.47) MEN1KMT2AATRPABPC1AAK1
SCHEMBL4790101 0.82 MAP4K4 (0.39) ATRAAK1RXFP1METAP1LCK
SCHEMBL12513167 0.81 ATR (0.38) MEN1KMT2AMAPTATRPABPC1

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-109843886-B Bicyclic pyridone lactams and methods of use thereof 豪夫迈·罗氏有限公司 2022-04-19 CN disclosed
EP-3526219-B1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
WO-2018073193-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-04-26 WO disclosed