SCHEMBL30540558

SCHEMBL30540558

CC1(C)COc2c(C=O)cc(C(N)=O)nc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.37
LMNA P02545 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
ALOX5 P09917 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
SCHEMBL30540529 0.88 RARA (0.33) PTGS1PTGS2ALOX5
SCHEMBL25348987 0.84 RARB (0.34) PTGS1PTGS2ALOX5
SCHEMBL30625508 0.74 CD38 (0.33) GRM2PTGS1PTGS2ALOX5
SCHEMBL30540451 0.74 EEF2K (0.42) GRM2LMNA
SCHEMBL25350416 0.73 RARB (0.34) PTGS1PTGS2ALOX5
SCHEMBL30625612 0.72 CD38 (0.35) PTGS1PTGS2ALOX5
SCHEMBL30625520 0.72 RARA (0.36)
SCHEMBL30540591 0.71 MAP3K14 (0.39) GRM2PTGS1PTGS2
SCHEMBL30540509 0.69 PABPC1 (0.39) LMNAPTGS1PTGS2
SCHEMBL30625449 0.69 PTGS1 (0.32) PTGS1PTGS2ALOX5

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-4476219-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2024-12-18 EP disclosed
CN-118696043-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2024-09-24 CN disclosed
WO-2023151642-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
WO-2023151636-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed