SCHEMBL80966

SCHEMBL80966

[c]1ccc2cncnc2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.52
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
TDO2 P48775 1/20 0.33
IMPDH2 P12268 2/20 0.31
FGFR4 P22455 1/20 0.30
NOTUM Q6P988 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL81548 0.83 EGFR (0.52) EGFRPIK3CDPIK3CATDO2FGFR4
SCHEMBL17511867 0.80 EGFR (0.44) EGFRPIK3CDPIK3CATDO2IMPDH2
SCHEMBL17511903 0.80 EGFR (0.44) EGFRPIK3CDPIK3CATDO2IMPDH2
SCHEMBL8010883 0.77 PIK3CA (0.46) EGFRPIK3CDPIK3CATDO2FGFR4
SCHEMBL17511933 0.73 EGFR (0.33) EGFR
Quinazoline SCHEMBL27607879 0.71 EGFR (0.95) EGFRPIK3CDPIK3CATDO2IMPDH2
Quinazoline SCHEMBL27716390 0.71 EGFR (0.95) EGFRPIK3CDPIK3CATDO2IMPDH2
Quinazoline SCHEMBL28002188 0.71 EGFR (0.95) EGFRPIK3CDPIK3CATDO2IMPDH2
Quinazoline SCHEMBL27464750 0.71 EGFR (0.95) EGFRPIK3CDPIK3CATDO2IMPDH2
Quinazoline SCHEMBL8130188 0.71 EGFR (0.95) EGFRPIK3CDPIK3CATDO2IMPDH2

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 2395 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145659-A1 HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR INTRA-CELLULAR THERAPIES, INC. (US) 2024-07-04 WO claimed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US claimed
CN-113166119-B Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-05 CN claimed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO claimed
CN-114957110-A Antiviral compound and preparation method and application thereof 清华大学 2022-08-30 CN claimed
CN-114269731-A KIF18A inhibitors 美国安进公司 2022-04-01 CN claimed
EP-3904352-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-11-03 EP claimed
CN-113166119-A Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-23 CN claimed
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 EP claimed
WO-2020135210-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-07-02 WO claimed
WO-1998039303-A1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-09-11 WO claimed
WO-1998023617-A1 HETERO-BIARYL-PYRIDOQUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-04 WO claimed
EP-0822187-A1 PYRAZOLE DERIVATIVES AND HERBICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-02-04 EP claimed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO claimed
CN-1144526-A Thiazolidines and oxazolidines substituted by pyridine ring and their use a hypoglycemic agents NISSAN CHEMICAL IND LTD (JP) 1997-03-05 CN 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
CN-1030196-C Positive inotropic and lusitropic 3,5-dihydro-imidazo [2,1-6] quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-11-01 CN 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-0289430-B1 SWEETENERS DERIVED FROM GUANIDINOACETIC AND ETHANAMIDINOACETIC ACIDS, THEIR USES AND COMPOSITIONS CONTAINING THESE SWEETENERS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1992-04-08 EP claimed
CN-1051560-A Contractile and relaxing force enhancing 3, 5-dihydroimidazo [2, 1-b ] quinazolin-2 (1H) -one derivatives JANSSEN PHARMACEUTICA NV (BE) 1991-05-22 CN claimed