SCHEMBL22580

SCHEMBL22580

[CH]1CNNC1

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
SCHEMBL61422 0.76
SCHEMBL450381 0.60
SCHEMBL570870 0.47
SCHEMBL2088 0.45
SCHEMBL23895059 0.41
SCHEMBL893 0.41
SCHEMBL9866494 0.41
SCHEMBL25204735 0.41
SCHEMBL21722216 0.41
SCHEMBL21590148 0.41

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 5099 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785123-A Novel BTK inhibitor and application thereof 乳源东阳光药业有限公司 2023-03-14 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors MERCK PATENT GMBH (DE) 2019-05-21 US claimed
US-9630934-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US claimed
EP-2763993-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER IP GMBH (DE) 2017-04-19 EP claimed
EP-2488510-B1 Amides and thioamides as pest control agents BAYER IP GMBH (DE) 2017-03-29 EP claimed
US-20160229819-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-08-11 US claimed
WO-2016127186-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-11 WO claimed
EP-1953145-B1 HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO (JP) 2015-11-04 EP claimed
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed
EP-0638080-A4 7-DISUBSTITUTED-METHYL-4-OXO-3H -,5H --PYRROLO 3,2-d -]PYRIMIDINE AND PHARMACEUTICAL USES AND COMPOSITIONS CONTAINING THE SAME. BIOCRYST PHARM INC (US) 1995-08-23 EP claimed
EP-0638080-A1 7-DISUBSTITUTED-METHYL-4-OXO-3H -,5H --PYRROLO 3,2-d -]PYRIMIDINE AND PHARMACEUTICAL USES AND COMPOSITIONS CONTAINING THE SAME BIOCRYST PHARMACEUTICALS, INC. (US) 1995-02-15 EP claimed
US-5281708-A Enzyme inhibitors of purine nucleoside phosphorylase for autoimmune diseases, gout, psoriasis or rejection of transplants WARNER-LAMBERT COMPANY (US) 1994-01-25 US claimed
US-5272268-A Dipeptide derivatives SHIONOGI & CO., LTD. (JP) 1993-12-21 US claimed
WO-1993021187-A1 7-DISUBSTITUTED-METHYL-4-OXO-3H^_,5H^_-PYRROLO[3,2-d^_]PYRIMIDINE AND PHARMACEUTICAL USES AND COMPOSITIONS CONTAINING THE SAME BIOCRYST PHARMACEUTICALS, INC. (US) 1993-10-28 WO claimed
US-5223615-A Hypotensive agents SHIONOGI & CO., LTD. (JP) 1993-06-29 US claimed
US-5194608-A Hypotensive agents; inhibits renin-angiotensin system SHIONOGI & CO., LTD. (JP) 1993-03-16 US claimed
US-4200628-A ANTIBIOTICS, BACTERICIDES SHIONOGI & CO., LTD. (JP) 1980-04-29 US claimed