SCHEMBL21031802

SCHEMBL21031802

COC(=O)c1c(C#N)cc(NC2CCCC[C@@H]2NC(=O)OC(C)(C)C)nc1Nc1cccc(SC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.43
FER P16591 7/20 0.40
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
HCK P08631 1/20 0.35
ROS1 P08922 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
MARK3 P27448 1/20 0.35
LTK P29376 1/20 0.35
FLT3 P36888 1/20 0.35
CSNK1A1 P48729 1/20 0.35

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
SCHEMBL21031806 0.98 SYK (0.41) SYKFERMAPTRXFP1TSHR
SCHEMBL1989066 0.90 FER (0.51) SYKFERJAK2ROCK2MAP4K4
SCHEMBL1987168 0.87 SYK (0.42) SYKFERJAK2CAMK1DALK
SCHEMBL17274160 0.87 SYK (0.42) SYKFERJAK2CAMK1DALK
SCHEMBL21032281 0.87 FER (0.51) SYKFERJAK2ROCK2MAP4K4
SCHEMBL20164930 0.86 SYK (0.41) SYKFERJAK2ROCK2MAP4K4
SCHEMBL1989027 0.86 SYK (0.41) SYKFERJAK2CAMK1DALK
SCHEMBL1986622 0.84 SYK (0.42) SYKFERJAK2
SCHEMBL16751306 0.82 FER (0.54) SYKFERJAK2ROCK2MAP4K4
SCHEMBL23397921 0.82 SYK (0.40) SYKFERMAPTMEN1KMT2A

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