SCHEMBL21757166

SCHEMBL21757166

CC(C)(C)OC(=O)N1CC2(CC=C(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.56
JAK2 O60674 19/20 0.56
TYK2 P29597 13/20 0.56
JAK3 P52333 13/20 0.55

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
SCHEMBL23424188 0.93 JAK1 (0.57) JAK1JAK2TYK2JAK3
SCHEMBL21757010 0.92 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL23424216 0.87 JAK1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL23424176 0.84 JAK1 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL21242708 0.84 JAK1 (0.76) JAK1JAK2TYK2JAK3
SCHEMBL21757171 0.83 CYP11B2 (0.39) JAK1JAK2TYK2JAK3
SCHEMBL21757168 0.83 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL21757112 0.83 JAK1 (0.61) JAK1JAK2TYK2JAK3
SCHEMBL23584395 0.82 JAK1 (0.68) JAK1JAK2TYK2JAK3
SCHEMBL21757113 0.82 JAK1 (0.61) JAK1JAK2TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964616-A Synthesis method and application of JAK inhibitor drug compound 珠海联邦制药股份有限公司 2024-05-03 CN disclosed
CN-117924272-A Synthesis method and application of JAK inhibitor drug intermediate 珠海联邦制药股份有限公司 2024-04-26 CN disclosed
EP-4108664-A1 CRYSTALLINE FORM OF JAK INHIBITOR AND APPLICATION THEREOF Zhuhai United Laboratories Co., Ltd (CN) 2022-12-28 EP disclosed
EP-4105214-A1 USE OF JAK INHIBITORS IN PREPARATION OF DRUGS FOR TREATING JAK KINASE-RELATED DISEASES Zhuhai United Laboratories Co., Ltd (CN) 2022-12-21 EP disclosed
WO-2022161205-A1 ORAL PREPARATION CONTAINING JAK INHIBITOR OR SALT THEREOF OR CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 珠海联邦制药股份有限公司 2022-08-04 WO disclosed
WO-2021159372-A1 USE OF JAK INHIBITORS IN PREPARATION OF DRUGS FOR TREATING JAK KINASE-RELATED DISEASES 珠海联邦制药股份有限公司 2021-08-19 WO disclosed
WO-2020038457-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND APPLICATION THEREOF 珠海联邦制药股份有限公司 2020-02-27 WO disclosed