SCHEMBL452747

SCHEMBL452747

[c]1ccc2c(n1)CCC=C2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL157699 0.69
SCHEMBL12660618 0.68 S100A4 (0.33)
SCHEMBL789743 0.68
SCHEMBL9375579 0.65 CYP19A1 (0.33)
SCHEMBL29380195 0.65 CYP19A1 (0.33)
SCHEMBL12520675 0.65
SCHEMBL23775564 0.64 NOS3 (0.30)
SCHEMBL12520646 0.64
Hydrochloric Acid SCHEMBL27523018 0.64 CYP19A1 (0.32)
SCHEMBL12520767 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166617-A1 PHOSPHOINOSITIDE 3 KINASE BETA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC (US) 2024-05-23 US disclosed
EP-3512602-B1 INHIBITORS OF HEAT SHOCK FACTORS (HSF) AND USES THEREOF HSF PHARMACEUTICALS (CH) 2024-03-27 EP disclosed
CN-117615763-A Phosphoinositide 3 kinase beta inhibitor, composition and preparation method thereof 健道生物医药有限公司 2024-02-27 CN disclosed
EP-4284375-A1 PHOSPHOINOSITIDE 3 KINASE BETA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Geode Therapeutics Inc. (US) 2023-12-06 EP disclosed
WO-2023158862-A2 STIMULATOR OF INTERFERON GENES (STING) MODULATORS, AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2023-08-24 WO disclosed
WO-2023096850-A1 PHOSPHOINOSITIDE 3 KINASE GAMMA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2023-06-01 WO disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
WO-2022164812-A1 PHOSPHOINOSITIDE 3 KINASE BETA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2022-08-04 WO disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
US-20060270663-A1 Substituted 7,8-dihydro-1H-pyrimido[4,5-b][1,4]diazepin-4-amines are novel kinase inhibitors ABBVIE INC. 2006-11-30 US disclosed
WO-2006124813-A2 SUBSTITUTED 7, 8-DIHYDRO-1H-PYRIMIDO [4,5-B] [1,4] DIAZEPIN-4-AMINES AS?KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-11-23 WO disclosed
WO-2006110683-A1 2-SUBSTITUTED-1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060229351-A1 2-Substituted-1 H-benzimidazile-4-carboxamides are PARP inhibitors ABBVIE INC. 2006-10-12 US disclosed
US-7119205-B2 Thienopyridones as AMPK activators for the treatment of diabetes and obesity ABBOTT LABORATORIES (US) 2006-10-10 US disclosed
US-20060178400-A1 Novel acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES 2006-08-10 US disclosed
WO-2005121090-A1 SUBSTITUTED PIPERIDINES THAT HAVE ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2005-12-22 WO disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 WO disclosed
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity ABBVIE INC. 2005-02-17 US disclosed