SCHEMBL21031806

SCHEMBL21031806

COC(=O)c1c(C#N)cc(NC2CCCC2NC(=O)OC(C)(C)C)nc1Nc1cccc(SC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.41
FER P16591 7/20 0.39
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
EGFR P00533 2/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL21031802 0.98 SYK (0.43) SYKFERMAPTRXFP1TSHR
SCHEMBL1989066 0.88 FER (0.51) SYKFER
SCHEMBL1989027 0.87 SYK (0.41) SYKFER
SCHEMBL17274160 0.86 SYK (0.42) SYKFER
SCHEMBL1987168 0.86 SYK (0.42) SYKFER
SCHEMBL21032281 0.85 FER (0.51) SYKFER
SCHEMBL20164930 0.84 SYK (0.41) SYKFER
SCHEMBL1986622 0.82 SYK (0.42) SYKFERAAK1
SCHEMBL16751306 0.81 FER (0.54) SYKFER
SCHEMBL23397921 0.81 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 3 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-B1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICALS CO (JP) 2020-09-30 EP disclosed
EP-3489236-A1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES Takeda Pharmaceutical Company Limited (JP) 2019-05-29 EP disclosed