SCHEMBL5260694

SCHEMBL5260694

Cc1ncc(S)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
SCHEMBL27925379 0.75
SCHEMBL11285803 0.75
SCHEMBL19705265 0.75
SCHEMBL750822 0.75
SCHEMBL27925399 0.75
SCHEMBL130245 0.72
Ammonia Solution, Strong SCHEMBL15795891 0.70 NOS3 (0.39)
SCHEMBL27943884 0.70 KCNJ1 (0.33)
SCHEMBL27730537 0.69 KMT2A (0.36)
SCHEMBL750795 0.69 POLB (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178693-A1 METHOD FOR PREPARING LEMBOREXANT AND METHOD FOR PREPARING LEMBOREXANT INTERMEDIATE 浙江华海药业股份有限公司 2023-09-28 WO disclosed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
EP-1500657-A1 Substituted pyrazoles as P38 kinase inhibitors G.D. Searle LLC (US) 2005-01-26 EP disclosed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP disclosed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US disclosed
US-6639109-B1 Reacting amino alcohol with sulfuric acid then reacting resulting amino sulfate with a mercaptan; simple, safe, rapid NIHON NOHYAKU CO., LTD. (JP) 2003-10-28 US disclosed
EP-1216988-A1 THIOALKYLAMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2002-06-26 EP disclosed
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 CN disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
EP-0291304-B1 PROCESS FOR THE CONVERSION OF THE E-ISOMER OF 6-(SUBSTITUTED METHYLENE)-2-PENEMS INTO THE Z-ISOMER BEECHAM GROUP PLC (GB) 1992-02-26 EP disclosed
EP-0167980-B1 NOVEL SUBSTRATES FOR USE IN MEASURING THE CONCENTRATION OF KALLIKREIN IN URINE NITTO BOSEKI CO., LTD. (JP) 1991-08-07 EP disclosed
US-4897476-A Process for preparing penems BEECHAM GROUP P.L.C. (GB) 1990-01-30 US disclosed
EP-0291304-A1 Process for the conversion of the E-isomer of 6-(substituted methylene)-2-penems into the Z-isomer BEECHAM GROUP PLC (GB) 1988-11-17 EP disclosed
US-4650753-A Novel substrates for use in measuring the concentration of kallikrein in urine NITTO BOSEKI CO., LTD. (JP) 1987-03-17 US disclosed
EP-0167980-A2 Novel substrates for use in measuring the concentration of kallikrein in urine NITTO BOSEKI CO., LTD. (JP) 1986-01-15 EP disclosed