SCHEMBL19884841

SCHEMBL19884841

CC(C)CC(=O)N1CCC[C@@H](N(C)c2ccnc3[nH]ccc23)C1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.68
JAK2 O60674 13/20 0.68
JAK3 P52333 6/20 0.57
BTK Q06187 3/20 0.51
TYK2 P29597 2/20 0.50
KCNH2 Q12809 1/20 0.50
PKN2 Q16513 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL19884836 0.89 JAK1 (0.60) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884797 0.87 JAK1 (0.60) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884845 0.87 JAK1 (0.59) JAK1JAK2JAK3BTKTYK2
SCHEMBL352920 0.86 JAK2 (0.68) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL16488303 0.86 JAK1 (0.58) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884849 0.84 JAK1 (0.61) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884823 0.84 JAK1 (0.61) JAK1JAK2JAK3BTKTYK2
SCHEMBL351447 0.84 JAK3 (0.59) JAK1JAK2JAK3TYK2PKN2
SCHEMBL10062096 0.84 JAK3 (0.59) JAK1JAK2JAK3TYK2PKN2
SCHEMBL19884812 0.84 JAK1 (0.54) JAK1JAK2JAK3BTKTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2671882-B1 pyrrolo[2,3-b]pyridin-4-yl-amines and pyrrolo[2m3-b]pyrimidin-4-yl-amines as janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2018-02-21 EP disclosed