SCHEMBL4413616

SCHEMBL4413616

CC(C)c1nnn(C(C)(C)C)n1

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
SCHEMBL4405779 0.71
SCHEMBL4413255 0.69 AOC3 (0.31)
SCHEMBL4411328 0.68 GRM5 (0.32)
SCHEMBL22428885 0.68
SCHEMBL20711340 0.67
SCHEMBL22356889 0.67
SCHEMBL22003128 0.67
SCHEMBL4413308 0.67
SCHEMBL19286822 0.67
SCHEMBL4411346 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814384-B2 Inhibtors of Raf kinases KINNATE BIOPHARMA INC. (US) 2023-11-14 US disclosed
US-11814384-B2 Inhibtors of Raf kinases KINNATE BIOPHARMA INC. (US) 2023-11-14 US disclosed
WO-2023150681-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2023-08-10 WO disclosed
US-20230250089-A1 MAP4K3 SMALL MOLECULE DRUG INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-08-10 US disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8729114-B2 Heteroaryl nitrile compounds useful as inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-20 US disclosed
US-8729114-B2 Heteroaryl nitrile compounds useful as inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-20 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20130158018-A1 Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158018-A1 Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed