SCHEMBL2053385

SCHEMBL2053385

CC1CCN(C(=O)CC#N)C[C@H]1N(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.46
JAK2 O60674 16/20 0.46
JAK1 P23458 10/20 0.46
TYK2 P29597 5/20 0.46
ROCK1 Q13464 4/20 0.46
PKN2 Q16513 4/20 0.46
LRRK2 Q5S007 4/20 0.46
ROCK2 O75116 3/20 0.46
PRKCD Q05655 3/20 0.46
STK3 Q13188 3/20 0.46
CAMK2D Q13557 3/20 0.46
LCK P06239 3/20 0.46
RET P07949 3/20 0.46
CAMK1D Q8IU85 3/20 0.46
MARK3 P27448 2/20 0.46
MARK2 Q7KZI7 2/20 0.46
DCLK1 O15075 2/20 0.46
ABL1 P00519 2/20 0.46
FYN P06241 2/20 0.46
DMPK Q09013 2/20 0.46

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
SCHEMBL1992463 1.00 JAK3 (0.46) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL1992462 1.00 JAK3 (0.46) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL1992467 1.00 JAK3 (0.46) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL12395298 0.81 JAK3 (0.53) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL12463220 0.79 JAK3 (0.54) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL9921655 0.79 JAK3 (0.52) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL2148231 0.78 JAK3 (0.47) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL2042408 0.77 JAK3 (0.44) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL19275337 0.77 JAK3 (0.50) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL9921661 0.76 JAK3 (0.45) JAK3JAK2JAK1TYK2ROCK1

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
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed