SCHEMBL6893152

SCHEMBL6893152

Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)nc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.61
MAP4K4 O95819 2/20 0.53
DPP4 P27487 7/20 0.49
JAK3 P52333 2/20 0.48
BTK Q06187 1/20 0.48
PDE10A Q9Y233 1/20 0.47
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
AURKA O14965 1/20 0.46
PDPK1 O15530 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL6893856 1.00 GRM2 (0.61) GRM2MAP4K4DPP4JAK3BTK
SCHEMBL6893180 0.86 GRM2 (0.59) GRM2
SCHEMBL6890122 0.81 GRM2 (0.69) GRM2
SCHEMBL16264307 0.80 GRM2 (0.56) GRM2
SCHEMBL6891879 0.80 GRM2 (0.60) GRM2
SCHEMBL6891411 0.80 GRM2 (0.60) GRM2
SCHEMBL6891800 0.79 GRM2 (0.63) GRM2
SCHEMBL6892975 0.78 GRM2 (0.70) GRM2
SCHEMBL1502986 0.78 GRM2 (0.67) GRM2MAP4K4
SCHEMBL1503021 0.77 GRM2 (0.63) GRM2

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
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO disclosed