SCHEMBL1370896

SCHEMBL1370896

C[CH]C(C)(C)C(N)=O

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
SCHEMBL13164471 0.77
SCHEMBL22500796 0.77
SCHEMBL22500799 0.77
SCHEMBL5010520 0.75
SCHEMBL14738075 0.73
SCHEMBL6135423 0.73 ALDH1A1 (0.33)
SCHEMBL3812922 0.73
SCHEMBL9426268 0.73
SCHEMBL1077168 0.73
SCHEMBL2277808 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP claimed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO claimed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US claimed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP claimed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP claimed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO claimed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 US claimed
US-20010047026-A1 Substituted benzofuranoindoles and indenoindoles as novel potassium channel openers AMERICAN HOME PRODUCTS CORPORATION 2001-11-29 US claimed
EP-1135393-A2 SUBSTITUTED BENZOFURANOINDOLES AND INDENOINDOLES AS NOVEL POTASSIUM CHANNEL OPENERS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-26 EP claimed
US-6288099-B1 COMPOUNDS SUCH AS 8-BROMO-10H-BENZO(4,5)FURO(3,2-B)INDOLE-1-CARBOXYLIC ACID USED TO TREAT DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRATION SUCH AS URINARY INCONTINENCE AND IRRITABLE BOWL SYNDROME AMERICAN HOME PRODUCTS CORPORATION 2001-09-11 US claimed
WO-2000034285-A2 SUBSTITUTED BENZOFURANOINDOLES AND INDENOINDOLES AS NOVEL POTASSIUM CHANNEL OPENERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
US-6288099-B1 COMPOUNDS SUCH AS 8-BROMO-10H-BENZO(4,5)FURO(3,2-B)INDOLE-1-CARBOXYLIC ACID USED TO TREAT DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRATION SUCH AS URINARY INCONTINENCE AND IRRITABLE BOWL SYNDROME AMERICAN HOME PRODUCTS CORPORATION 2001-09-11 US disclosed
WO-2000034285-A2 SUBSTITUTED BENZOFURANOINDOLES AND INDENOINDOLES AS NOVEL POTASSIUM CHANNEL OPENERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000031038-A1 QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 WO disclosed