SCHEMBL5751644

SCHEMBL5751644

CC(C)(C)OC(=O)C1=CNC=CC=C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL27672257 0.78
SCHEMBL25195357 0.77 CA12 (0.34) NFKB1NFKB2RELATP53MAPT
SCHEMBL3977539 0.76 TSHR (0.39) MAPTALOX15CA12CA1CA2
Hydrochloric Acid SCHEMBL27029865 0.76 CA12 (0.33) NFKB1NFKB2RELATP53MAPT
SCHEMBL30401460 0.74
SCHEMBL7019184 0.73 ALDH1A1 (0.42) TP53MAPTHSD17B10
SCHEMBL27969703 0.73
SCHEMBL507046 0.72 TP53 (0.31) TP53MAPTALOX15HSD17B10
SCHEMBL27657273 0.72 NFKB1 (0.38) NFKB1NFKB2RELACA12CA1
SCHEMBL193861 0.71

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117255684-A Quinazolinamine derivatives as KRAS inhibitors 尼坎治疗公司 2023-12-19 CN disclosed
CN-110891938-B Tetrahydro-benzo [ D ] azepine derivatives as GPR120 modulators 卡尔丹治疗有限公司 2023-10-31 CN disclosed
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed
CN-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 CN disclosed
CN-110891938-A Tetrahydro-benzo [ D ] azepin slow derivatives as GPR120 modulators 卡尔丹治疗有限公司 2020-03-17 CN disclosed
EP-2788086-B1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-10-12 EP disclosed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
EP-1539704-A1 SUBSTITUTED AZEPINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-06-15 EP disclosed
CN-1187358-C Tetrahydrocycloazepinylpyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-02-02 CN disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
EP-1474399-A1 BENZENESULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2004-11-10 EP disclosed
WO-2004018432-A1 SUBSTITUTED AZEPINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2004-03-04 WO disclosed
CN-1441804-A Tetrahydro-heterocyclozaepinyl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2003-09-10 CN disclosed
WO-2003068752-A1 BENZENESULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-1303521-A1 TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006288-A1 TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed