SCHEMBL21032636

SCHEMBL21032636

COC(=O)c1c(C#N)cc(N[C@@H]2COCC2N)nc1Nc1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.53
KCNH2 Q12809 4/20 0.53
AURKB Q96GD4 4/20 0.53
MAPK1 P28482 4/20 0.53
MAPK3 P27361 3/20 0.53
FER P16591 12/20 0.48
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
DYRK3 O43781 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL12564466 1.00 SYK (0.53) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL1990154 1.00 SYK (0.53) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL1990157 1.00 SYK (0.53) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL1990152 1.00 SYK (0.53) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL1988137 0.93 SYK (0.55) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL21032215 0.93 SYK (0.55) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL26288005 0.93 SYK (0.55) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL1989061 0.93 SYK (0.55) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL16751306 0.82 FER (0.54) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL1985436 0.81 SYK (0.56) SYKKCNH2AURKBMAPK1MAPK3

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
EP-3489236-A1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES Takeda Pharmaceutical Company Limited (JP) 2019-05-29 EP disclosed