SCHEMBL5653014

SCHEMBL5653014

COc1[c]cccc1N

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
SCHEMBL11462369 0.82 ALDH1A1 (0.48)
SCHEMBL123985 0.74 CA1 (0.48)
SCHEMBL275849 0.74
SCHEMBL1031009 0.73
SCHEMBL164522 0.73
SCHEMBL2971139 0.73
SCHEMBL160523 0.73
SCHEMBL10530444 0.73
SCHEMBL1068357 0.73
SCHEMBL422932 0.72 MAOA (0.43)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624126-A Selective tyrosine kinase 2 (TYK 2) inhibitor compound, synthesis method and application 中国药科大学 2024-03-01 CN disclosed
WO-2022100710-A1 TYROSINE KINASE 2 (TYK2) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI) , INC. (CN) 2022-05-19 WO disclosed
CN-105246884-A Urea derivatives useful as kinase inhibitors RESPIVERT LTD 2016-01-13 CN disclosed
CN-104640861-A Purinone compounds as kinase inhibitors PHARMACYCLICS INC 2015-05-20 CN disclosed
CN-101953755-B Hair springiness and stiffness improving agent and hair cosmetic SHISEIDO CO LTD 2012-03-28 CN disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed
CN-101953755-A The tension force of hair and toughness improving agent and hair-dressing cosmetics SHISEIDO CO LTD 2011-01-26 CN disclosed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 US disclosed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 CN disclosed
EP-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP disclosed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 WO disclosed
US-4338436-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4338439-A BACTERICIDAL ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4319028-A 7-(2-(Substituted benzoyl)amino)acetamido)cephalosporins ELI LILLY AND COMPANY (US) 1982-03-09 US disclosed