SCHEMBL404248

SCHEMBL404248

N#CCCC([NH])=O

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
SCHEMBL7771422 0.83
SCHEMBL7771020 0.81
SCHEMBL7771076 0.79 MAPT (0.37)
SCHEMBL7771006 0.79 MAPT (0.37)
SCHEMBL11064741 0.75 ALDH1A1 (0.44)
SCHEMBL325311 0.73
Water SCHEMBL18694993 0.73
SCHEMBL300224 0.73
Hydrochloric Acid SCHEMBL11596030 0.71
Ammonia Solution, Strong SCHEMBL3713940 0.71 LMNA (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS AG (CH) 2019-05-09 US disclosed
US-9452994-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-09-27 US disclosed
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES FLUBACHER DIETMAR (DE) 2016-09-01 US disclosed
EP-3040333-A1 CRYSTALLINE FORMS OF 5-(2,6-DI-4-MORPHOLINYL-4-PYRIDMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE, A PIK3 INHIBITOR Novartis AG (CH) 2016-07-06 EP disclosed
US-9359326-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-06-07 US disclosed
US-9181215-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2015-11-10 US disclosed
US-20150232446-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-20 US disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS PHARMACEUTICALS CORPORATION 2015-05-21 US disclosed
EP-2637665-B1 DEXAMETHASONE COMBINATION THERAPY UNIV TEXAS (US) 2015-04-08 EP disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed
US-5332820-A Diuretic, hypotensive agent, treating congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-26 US disclosed
US-4386935-A Process for producing discharge reserve prints on textile materials with amino-azo-benzene dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1983-06-07 US disclosed
EP-0013378-B1 PROCESS FOR THE PRODUCTION OF RESERVE EFFECTS ON POLYESTER-CELLULOSE BLENDED TEXTILE MATERIALS CASSELLA Aktiengesellschaft (DE) 1982-11-17 EP disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4265629-A Process for the production of resist effects on polyester/cellulose mixed fiber textiles CASSELLA AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
US-4252530-A USING A BASE AS DISCHARGE AGENT IN A DISCHARGE RESIST PASTE AND HEATING CASSELLA AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
EP-0013378-A1 Process for the production of reserve effects on polyester-cellulose blended textile materials CASSELLA Aktiengesellschaft (DE) 1980-07-23 EP disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed