SCHEMBL2040652

SCHEMBL2040652

CCc1nnc(CCl)o1

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
SCHEMBL8388694 0.86
SCHEMBL2037956 0.75 ALDH1A1 (0.36)
SCHEMBL12845869 0.74
SCHEMBL18901147 0.74
SCHEMBL2044974 0.73 ALDH1A1 (0.38)
SCHEMBL762438 0.70
SCHEMBL13049107 0.70 ALDH1A1 (0.40)
SCHEMBL1785878 0.70 POLB (0.36)
SCHEMBL13193928 0.70
SCHEMBL12846146 0.70 MAPT (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202922-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-10-02 WO disclosed
US-9045496-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-9018175-B2 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives TAKEDA GMBH (DE) 2015-04-28 US disclosed
EP-2678342-B1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL (JP) 2015-01-07 EP disclosed
EP-2813509-A1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives Takeda GmbH (DE) 2014-12-17 EP disclosed
US-20140309219-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-16 US disclosed
US-8791107-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-29 US disclosed
EP-2513119-B1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES TAKEDA GMBH (DE) 2014-06-25 EP disclosed
EP-2678342-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES Takeda Pharmaceutical Company Limited (JP) 2014-01-01 EP disclosed
CN-103384672-A N-substituted oxazinopteridines and oxazinopteridinones TAKAEDA CHEMICAL IND LTD 2013-11-06 CN disclosed
EP-2513119-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES Nycomed GmbH (DE) 2012-10-24 EP disclosed
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 US disclosed
WO-2011073231-A1 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES NYCOMED GMBH (DE) 2011-06-23 WO disclosed
WO-2010129848-A2 2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 WO disclosed
US-4666502-A Herbicidal N-thienyl-chloroacetamides SANDOZ LTD. (CH) 1987-05-19 US disclosed
US-4562259-A INSECTICIDES MITTICIDES, NEMATOCIDES BASF AKTIENGESELLSCHAFT (DE) 1985-12-31 US disclosed
US-4267338-A INTERMEDIATES IN THE PRODUCTION OF N-AZOLYLALKYL-HALOGENOACETANILIDE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
EP-0003539-B1 N-AZOLYLALKYL-HALOGENOACETANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-04-08 EP disclosed
EP-0016383-A1 Oxadiazolylmethylthiol phosphates, methods of their production and their use in combating pests BASF Aktiengesellschaft (DE) 1980-10-01 EP disclosed
EP-0003540-B1 N-AZOLYLALKYL ANILINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1980-10-01 EP disclosed