SCHEMBL29397209

SCHEMBL29397209

O=C=Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
KDR P35968 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 2/20 0.41
TRPA1 O75762 1/20 0.41
IDO1 P14902 2/20 0.40
PYCR1 P32322 1/20 0.40
NOTUM Q6P988 5/20 0.40
PDK1 Q15118 1/20 0.40
NPFFR2 Q9Y5X5 3/20 0.39
NPFFR1 Q9GZQ6 2/20 0.39
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL58303 1.00 MAPK1 (0.61) MAPK1TDP1HTR3EHTR3BHTR3A
Tetrahydrofuran SCHEMBL28279164 0.88 MAPK1 (0.49) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL8593598 0.87 MAPK1 (0.47) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL856525 0.86 MAPK1 (0.61) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL10788009 0.84 MAPK1 (0.63) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL1555041 0.83 MAPK1 (0.47) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL881834 0.82 HTR3E (0.56) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL3837474 0.82 MAPK1 (0.42) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL7177146 0.81 MAPK1 (0.46) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL29648906 0.80 MAPK1 (0.44) MAPK1TDP1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108977-B Regorafenib preparation method of nylon 南京正大天晴制药有限公司 2024-11-29 CN disclosed
CN-111892533-B Regorafenib related substance, and preparation method and application thereof 石药集团中奇制药技术(石家庄)有限公司 2024-07-12 CN disclosed
CN-114315710-B Method for preparing or purifying regorafenib 江苏豪森药业集团有限公司 2024-04-26 CN disclosed
CN-114920689-B Preparation method of regorafenib intermediate 石药集团中奇制药技术(石家庄)有限公司 2024-04-02 CN disclosed
CN-109796401-B Preparation method of regorafenib bulk drug 新乡双鹭药业有限公司 2023-10-17 CN disclosed
CN-109796401-B Preparation method of regorafenib bulk drug 新乡双鹭药业有限公司 2023-10-17 CN disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
CN-112020525-B Adducts of amine catalysts for preparing isocyanurate polymers 科思创知识产权两合公司 2023-05-16 CN disclosed
CN-115991673-A Purification method of regorafenib 四川科伦药物研究院有限公司 2023-04-21 CN disclosed
CN-115108977-A Preparation method of regorafenib 南京正大天晴制药有限公司 2022-09-27 CN disclosed
CN-114920689-A Preparation method of regorafenib intermediate 石药集团中奇制药技术(石家庄)有限公司 2022-08-19 CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 CN disclosed
CN-110068616-B Normal phase chromatographic analysis method for 4-chlorine-2 nitrophenyl isocyanate and reaction liquid thereof 联化科技股份有限公司 2022-06-03 CN disclosed
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 EP disclosed
EP-3997149-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE Covestro Intellectual Property GmbH & Co. KG (DE) 2022-05-18 EP disclosed
CN-110885298-B Synthesis method of 4-chloro-3- (trifluoromethyl) phenylisocyanate 山东金城医药化工有限公司 2022-05-10 CN disclosed
CN-114315710-A Method for preparing or purifying regorafenib 江苏豪森药业集团有限公司 2022-04-12 CN disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed