SCHEMBL28416005

SCHEMBL28416005

CC(C)COC(=O)N1CCC(N(C)c2ncnc3[nH]ccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 1.00
JAK2 O60674 16/20 1.00
JAK3 P52333 5/20 0.66
TYK2 P29597 1/20 0.66
KCNH2 Q12809 1/20 0.66
BTK Q06187 3/20 0.57

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
SCHEMBL20183293 1.00 JAK1 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL2316849 0.88 JAK2 (0.79) JAK1JAK2JAK3TYK2
SCHEMBL3679052 0.88 JAK2 (0.79) JAK1JAK2JAK3TYK2
SCHEMBL20183435 0.86 JAK1 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183432 0.86 JAK1 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL21400287 0.84 JAK1 (0.73) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL7494320 0.83 JAK2 (0.71) JAK1JAK2JAK3TYK2
SCHEMBL20183401 0.83 JAK1 (0.76) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183396 0.83 JAK1 (0.76) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL21334304 0.82 JAK1 (0.80) JAK1JAK2JAK3TYK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN claimed
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN disclosed