SCHEMBL1396366

SCHEMBL1396366

CC1(C(=O)O)CC(CC#N)(n2cc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.41
JAK1 P23458 13/20 0.41
JAK3 P52333 8/20 0.41
AXL P30530 1/20 0.40
CIT O14578 1/20 0.40
GAK O14976 1/20 0.40
ROCK2 O75116 1/20 0.40
ULK1 O75385 1/20 0.40
PRKCB P05771 1/20 0.40
RET P07949 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40
MARK3 P27448 1/20 0.40
TYK2 P29597 1/20 0.40
STAT3 P40763 1/20 0.40
CLK1 P49759 1/20 0.40
CSNK1G2 P78368 1/20 0.40
PRKCD Q05655 1/20 0.40
MAP3K1 Q13233 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL2110159 0.91 JAK2 (0.42) JAK2JAK1JAK3AXLCIT
SCHEMBL871972 0.89 JAK2 (0.44) JAK2JAK1JAK3AXLCIT
SCHEMBL1396245 0.88 JAK2 (0.40) JAK2JAK1JAK3AXLCIT
SCHEMBL871761 0.88 JAK2 (0.41) JAK2JAK1JAK3AXLCIT
SCHEMBL6126928 0.87 JAK2 (0.44) JAK2JAK1JAK3AXLCIT
SCHEMBL100440 0.87 JAK2 (0.43) JAK2JAK1JAK3CITGAK
SCHEMBL1396452 0.87 JAK2 (0.40) JAK2JAK1JAK3AXLCIT
SCHEMBL2109774 0.87 JAK2 (0.41) JAK2JAK1JAK3AXLCIT
SCHEMBL10222872 0.87 JAK2 (0.44) JAK2JAK1JAK3AXLCIT
SCHEMBL1396196 0.86 JAK2 (0.45) JAK2JAK1JAK3AXLCIT

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
EP-2288610-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2011-03-02 EP disclosed
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 WO disclosed