SCHEMBL16751306

SCHEMBL16751306

COC(=O)N[C@H]1CCCC[C@H]1Nc1cc(C#N)c(C(=O)OC)c(Nc2cccc(C)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FER P16591 13/20 0.54
SYK P43405 6/20 0.48
MAPK1 P28482 3/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CHEK2 O96017 1/20 0.47
ABL1 P00519 1/20 0.47
PRKCG P05129 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47

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
SCHEMBL1989066 0.93 FER (0.51) FERSYKMAPK1CDC7PLK4
SCHEMBL16976692 0.88 FER (0.42) FERSYKMAPK1CDC7PLK4
SCHEMBL16751294 0.86 FER (0.40) FERSYKMAPK1CDC7PLK4
SCHEMBL12564648 0.84 SYK (0.56) FERSYKMAPK1CDC7PLK4
SCHEMBL1985438 0.84 SYK (0.56) FERSYKMAPK1CDC7PLK4
SCHEMBL1985436 0.84 SYK (0.56) FERSYKMAPK1CDC7PLK4
SCHEMBL16751292 0.83 ALDH1A1 (0.40) FERSYKMAPK1CDC7ROCK2
SCHEMBL21031802 0.82 SYK (0.43) FERSYKJAK2ROCK2MAP4K4
SCHEMBL1990157 0.82 SYK (0.53) FERSYKMAPK1CDC7PLK4
SCHEMBL21032636 0.82 SYK (0.53) FERSYKMAPK1CDC7PLK4

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-2902392-A1 Fused heteroaromatic pyrrolidinones as syk inhibitors Takeda Pharmaceutical Company Limited (JP) 2015-08-05 EP disclosed
EP-2516434-B1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed