SCHEMBL441859

SCHEMBL441859

COc1cc(CN)on1

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
Hydrochloric Acid SCHEMBL440017 0.98 NOTUM (0.46)
Hydrochloric Acid SCHEMBL27032774 0.82 CHRM1 (0.40)
SCHEMBL10283737 0.81
SCHEMBL3154091 0.79
SCHEMBL3765497 0.79
SCHEMBL3154694 0.79
SCHEMBL15290013 0.79
SCHEMBL13028951 0.78 CHRM1 (0.39)
SCHEMBL22961452 0.78 ALDH1A1 (0.44)
SCHEMBL10862013 0.77 HRH3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US claimed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO claimed
US-7968542-B2 Thiophene compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-28 US claimed
US-12503467-B2 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2025-12-23 US disclosed
US-20220106276-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-04-07 US disclosed
EP-3894396-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS Ideaya Biosciences, Inc. (US) 2021-10-20 EP disclosed
US-11130759-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCE, INC. (US) 2021-09-28 US disclosed
US-11084798-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2021-08-10 US disclosed
US-11046691-B1 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2021-06-29 US disclosed
EP-3541803-B1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10689367-B2 Triazole pyridyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-06-23 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-7968542-B2 Thiophene compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-28 US disclosed
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
US-20090118500-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-05-07 US disclosed
EP-1904472-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2008-04-02 EP disclosed
WO-2007010954-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-01-25 WO disclosed
WO-2003082856-A1 ISOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-09 WO disclosed