SCHEMBL3645353

SCHEMBL3645353

CCC(=O)C(C)(C)C#N

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
SCHEMBL5739299 0.82 CES1 (0.39)
SCHEMBL22234947 0.77
SCHEMBL4085921 0.77 LDHA (0.38)
SCHEMBL16823418 0.77
SCHEMBL1013617 0.77 MCL1 (0.41)
SCHEMBL3500005 0.76
SCHEMBL3834036 0.75
SCHEMBL13680145 0.75 MGAM (0.33)
SCHEMBL2281301 0.73 DPP4 (0.32)
SCHEMBL13680122 0.72 GAA (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104903310-B Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain 阵列生物制药公司 2018-08-14 CN disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
EP-3191449-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-07-19 EP disclosed
EP-3169671-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-05-24 EP disclosed
CN-106146484-A Quinazoline derivant is as RAF kinase modulator and their method and purposes 埃姆比特生物科学公司 2016-11-23 CN disclosed
CN-102026985-B Quinazoline derivatives as RAF kinase modulators and methods and uses thereof 埃姆比特生物科学公司 2016-07-06 CN disclosed
CN-104039787-B Kinase inhibitors 奇斯药制品公司 2016-06-29 CN disclosed
WO-2016037578-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-17 WO disclosed
CN-105308046-A Kinase inhibitors CHIESI FARMA SPA 2016-02-03 CN disclosed
WO-2016008433-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-21 WO disclosed
CN-101198607-A Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2008-06-11 CN disclosed
CN-101084217-A Imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof as therapeutic compounds CANCER REC TECH LTD (GB) 2007-12-05 CN disclosed
CN-101065125-A Imine compound TAISHO PHARMACEUTICAL CO LTD (JP) 2007-10-31 CN disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
CN-101010315-A Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER PHARMACEUTICALS CORP (US) 2007-08-01 CN disclosed
CN-1946715-A Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORP (US) 2007-04-11 CN disclosed
CN-1882552-A Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA SRL (IT) 2006-12-20 CN disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed
CN-1756849-A Modulation of protein functionality DECIPHERA PHARMACEUTICALS LLC (US) 2006-04-05 CN disclosed
CN-1333767-A Aromatic heterocyclic compounds as antiinflammatory agent BOEHRINGER INGELHELM PHARMACEU (US) 2002-01-30 CN disclosed