SCHEMBL29157693

SCHEMBL29157693

COCCOc1cc(NC(=O)OC(C)(C)C)cnc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SYK P43405 1/20 0.38
RORC P51449 4/20 0.38
BRD4 O60885 1/20 0.37
CYP17A1 P05093 1/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
EGFR P00533 2/20 0.36
MAPKAPK2 P49137 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL30843868 1.00 NAMPT (0.40) NAMPTNPSR1ALDH1A1GAASYK
SCHEMBL31554405 0.87 ALDH1A1 (0.46) NAMPTALDH1A1GAASYKRORC
SCHEMBL14923668 0.85 SYK (0.42) NAMPTSYKRORCCYP17A1RAF1
SCHEMBL26967916 0.83 NPSR1 (0.40) NPSR1ALDH1A1BRAFEGFRSGMS2
SCHEMBL14923559 0.81 SYK (0.46) NAMPTSYKRORCCYP17A1AR
SCHEMBL24343932 0.78 NAMPT (0.41) NAMPTALDH1A1GAASYKRORC
SCHEMBL29534521 0.78 NAMPT (0.41) NAMPTALDH1A1GAASYKRORC
SCHEMBL29157688 0.78 BRD4 (0.37) ALDH1A1BRD4EGFRAAK1KDM4E
SCHEMBL30843850 0.78 BRD4 (0.37) ALDH1A1BRD4EGFRAAK1KDM4E
SCHEMBL23147651 0.76 ALDH1A1 (0.43) NAMPTALDH1A1GAASYKRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4294804-B1 PYRIDONE COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2026-04-08 EP disclosed
CN-117440951-A Pyridone compounds and methods of use 埃克塞里艾克西斯公司 2024-01-23 CN disclosed
EP-4294804-A1 PYRIDONE COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-12-27 EP disclosed
WO-2022178205-A1 PYRIDONE COMPOUNDS AND METHODS OF USE EXELIXIS, INC. (US) 2022-08-25 WO disclosed