SCHEMBL21032272

SCHEMBL21032272

COC(=O)c1c(C#N)cc(NC2CCCCC2N)nc1Nc1ccc(C=N)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FER P16591 6/20 0.44
SYK P43405 13/20 0.42
JAK2 O60674 2/20 0.40
ROCK2 O75116 2/20 0.40
MAP4K4 O95819 2/20 0.40
HCK P08631 2/20 0.40
ROS1 P08922 2/20 0.40
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
MARK3 P27448 2/20 0.40
LTK P29376 2/20 0.40
CSNK1A1 P48729 2/20 0.40
CLK2 P49760 2/20 0.40
MAPK10 P53779 2/20 0.40
MAP2K1 Q02750 2/20 0.40
MAP3K10 Q02779 2/20 0.40
PRKCQ Q04759 2/20 0.40
PTK2 Q05397 2/20 0.40
TYRO3 Q06418 2/20 0.40
STK3 Q13188 2/20 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
SCHEMBL20173714 0.83 SYK (0.56) FERSYKJAK2ROCK2MAP4K4
SCHEMBL1987593 0.81 FER (0.47) FERSYKJAK2ROCK2MAP4K4
SCHEMBL22475441 0.81 FER (0.47) FERSYKJAK2ROCK2MAP4K4
SCHEMBL21032281 0.81 FER (0.51) FERSYKJAK2ROCK2MAP4K4
SCHEMBL1986771 0.80 SYK (0.51) FERSYKJAK2ROCK2MAP4K4
SCHEMBL22475480 0.79 MKNK2 (0.35) LRRK2MKNK2
SCHEMBL23397919 0.74 FER (0.38) FERSYKJAK2ROCK2MAP4K4
SCHEMBL16751294 0.73 FER (0.40) FERSYKJAK2ROCK2MAP4K4
SCHEMBL16751306 0.73 FER (0.54) FERSYKJAK2ROCK2MAP4K4
SCHEMBL21032765 0.73 SYK (0.67) FERSYKJAK2ROCK2MAP4K4

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-3825316-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2021-05-26 EP disclosed
EP-3489236-A1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES Takeda Pharmaceutical Company Limited (JP) 2019-05-29 EP disclosed