SCHEMBL975164

SCHEMBL975164

[CH2]C(C)(C)CC#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
SCHEMBL28275369 0.78
SCHEMBL27923431 0.75
SCHEMBL25996748 0.73 ALDH1A1 (0.33)
SCHEMBL11506664 0.73
SCHEMBL117694 0.73
SCHEMBL20381598 0.73
SCHEMBL6966866 0.73
SCHEMBL17998202 0.72 ALDH1A1 (0.38)
SCHEMBL686751 0.72
SCHEMBL9535784 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3849664-B1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2024-06-12 EP claimed
US-20230057166-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2023-02-23 US claimed
EP-3849664-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2021-07-21 EP claimed
CN-112739420-A Phenoxy-pyridyl-pyrimidine compounds and methods of use 基因泰克公司 2021-04-30 CN claimed
WO-2020056089-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-03-19 WO claimed
US-9505765-B2 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds as TAK1 inhibitors in disease treatment CONFLUENCE LIFE SCIENCES INC. (US) 2016-11-29 US claimed
US-20150203499-A1 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT ACLARIS THERAPEUTICS, INC. 2015-07-23 US claimed
WO-2014018888-A1 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT CONFLUENCE LIFE SCIENCES INC. (US) 2014-01-30 WO claimed
EP-3849664-B1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2024-06-12 EP disclosed
US-11905299-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2024-02-20 US disclosed
US-20230057166-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2023-02-23 US disclosed
US-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-114380799-A COT modulators and methods of use thereof 吉利德科学公司 2022-04-22 CN disclosed
CN-109879859-B COT modulators and methods of use thereof 吉利德科学公司 2022-01-25 CN disclosed
EP-1560810-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-08-10 EP disclosed
US-20050159622-A1 Method for the production of sulphamic acid halogenides BASF AKTIENGESELLSCHAFT (DE) 2005-07-21 US disclosed
WO-2005054208-A1 METHOD FOR PRODUCING 3-PHENYL(THIO)URACILS AND 3-PHENYLDITHIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2005-06-16 WO disclosed
EP-1506169-A1 METHOD FOR THE PRODUCTION OF SULPHAMIC ACID HALOGENIDES BASF AKTIENGESELLSCHAFT (DE) 2005-02-16 EP disclosed
WO-2004039768-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 WO disclosed
WO-2003097589-A1 METHOD FOR THE PRODUCTION OF SULPHAMIC ACID HALOGENIDES BASF AKTIENGESELLSCHAFT (DE) 2003-11-27 WO disclosed