SCHEMBL21757052

SCHEMBL21757052

CC1CCC2(CC1)CCN(C(=O)CC#N)CC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.43
JAK2 O60674 10/20 0.43
TYK2 P29597 3/20 0.43
JAK3 P52333 2/20 0.43
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL21757048 0.91 JAK1 (0.45) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL21756990 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL22754610 0.84 JAK1 (0.43) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL20082889 0.84 JAK1 (0.48) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL6421780 0.83 ALDH1A1 (0.58) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL12424412 0.76 KDM4E (0.45) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL22007006 0.76 JAK1 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL21757053 0.75 JAK2 (0.43) JAK1JAK2TYK2ALDH1A1NPC1
SCHEMBL19159529 0.75 JAK3 (0.47) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL27253737 0.74 USP2 (0.49) ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3842431-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND APPLICATION THEREOF Zhuhai United Laboratories Co., Ltd (CN) 2021-06-30 EP 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
US-9403829-B2 Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino [2,3-b]pyrazin-2(1H)-one, a solid form thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-02 US disclosed