SCHEMBL454739

SCHEMBL454739

Cc1nc(C)c(C=O)s1

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
SCHEMBL24664333 0.79 ALDH1A1 (0.33)
SCHEMBL2586051 0.78
SCHEMBL3267616 0.76
SCHEMBL15182517 0.76
SCHEMBL12890180 0.76
SCHEMBL2517642 0.76
SCHEMBL13459256 0.76
SCHEMBL19185752 0.76
Hydrochloric Acid SCHEMBL5400276 0.75 NOS1 (0.48)
SCHEMBL23874485 0.73 LMNA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275412-A1 Indole and benzimidazole derivatives Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-19 EP claimed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US claimed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US claimed
EP-1807399-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES Novartis Vaccines and Diagnostics, Inc. (US) 2007-07-18 EP claimed
WO-2006049835-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-05-11 WO claimed
US-20060084687-A1 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2006-04-20 US claimed
WO-2026047575-A1 HYDROQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2026-03-05 WO disclosed
US-12435092-B2 Substituted imidazo[1,2-A]quinazolines as inhibitors of PARG 858 THERAPEUTICS, INC. (US) 2025-10-07 US disclosed
US-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-05-29 US disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
EP-4526304-A1 INHIBITORS OF PARG 858 Therapeutics, Inc. (US) 2025-03-26 EP disclosed
US-20240352018-A1 SUBSTITUTED IMIDAZO[1,2-a]QUINAZOLINES AND IMIDAZO[1,2-a]PYRIDO[4,3-e]PYRIMIDINES AS INHIBITORS OF PARG 858 THERAPEUTICS, INC. 2024-10-24 US disclosed
US-11939335-B2 Substituted imidazo[1,2-a]quinazolines and imidazo [1,2-a]pyrido[4,3-e]pyrimidines as inhibitors of PARG 858 THERAPEUTICS, INC. (US) 2024-03-26 US disclosed
US-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
EP-0125094-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-04-24 EP disclosed
US-4715884-A MONOCOTYLEDONOUS WEEDS IN DICOTYLEDONOUS CROPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-29 US disclosed
US-4704157-A MONOCOTYLEDONOUS WEEDS IN DICOTYLEDONOUS CROPS CI AUSTRALIA LTD. (AU) 1987-11-03 US disclosed
US-4604132-A Herbicidal 5-(hetero-substituted) cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-08-05 US disclosed
EP-0125094-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-11-14 EP disclosed