SCHEMBL47220

SCHEMBL47220

Cc1ncn[nH]1

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
SCHEMBL3744556 0.67 IDO1 (0.50)
SCHEMBL595649 0.63
SCHEMBL1083825 0.63
SCHEMBL1822949 0.62
SCHEMBL1548449 0.62
SCHEMBL14416088 0.62
SCHEMBL13670531 0.59
SCHEMBL4685169 0.59
SCHEMBL7995627 0.57
SCHEMBL1999085 0.57

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

Appears in 2355 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317753-A9 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2024-09-26 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2017-09-14 US claimed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
US-20160083421-A1 COMPUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2016-03-24 US claimed
EP-2276767-B1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-05-07 EP claimed
US-8716322-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-05-06 US claimed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US claimed
US-20130130968-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-05-23 US claimed
EP-1948678-B1 Compounds for enzyme inhibition ONYX THERAPEUTICS INC (US) 2013-05-01 EP claimed
EP-1948678-A1 COMPOUNDS FOR ENZYME INHIBITION Proteolix, Inc. (US) 2008-07-30 EP claimed
WO-2007056464-A1 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2007-05-18 WO claimed
US-20070105786-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-05-10 US claimed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US claimed
EP-0569333-B1 Novel N-aralkyl and N-heteroaralkylamino alcane phosphinic acids NOVARTIS AG (CH) 1999-01-07 EP claimed
EP-0477197-B1 PREPARATION OF 2-(2-TRITYLAMINOTHIAZOL-4-YL)-2-SYN-METHOXYIMINOACETIC ACID UPJOHN CO (US) 1995-07-12 EP claimed
US-5424441-A Nootropic, antiepileptic agents CIBA-GEIGY CORPORATION (US) 1995-06-13 US claimed
EP-0569333-A2 Novel N-aralkyl and N-heteroaralkylamino alcane phosphinic acids CIBA-GEIGY AG (CH) 1993-11-10 EP claimed
EP-0477197-A1 PREPARATION OF 2-(2-TRITYLAMINOTHIAZOL-4-YL)-2-SYN-METHOXYIMINOACETIC ACID. UPJOHN CO (US) 1992-04-01 EP claimed
WO-1990015802-A1 PREPARATION OF 2-(2-TRITYLAMINOTHIAZOL-4-YL)-2-SYN-METHOXYIMINOACETIC ACID THE UPJOHN COMPANY (US) 1990-12-27 WO claimed