SCHEMBL2048612

SCHEMBL2048612

CC(C)(C)OC(=O)NCc1ccc2c(c1)C(=O)NC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
NAMPT P43490 2/20 0.45
BRD4 O60885 2/20 0.44
CREBBP Q92793 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM2 Q14416 1/20 0.41
GAA P10253 1/20 0.39
KDM4A O75164 1/20 0.39
HDAC1 Q13547 1/20 0.39
PARP1 P09874 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
GLS O94925 1/20 0.39
HPN P05981 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL29797543 0.88 GPR119 (0.47) GPR119NAMPT
SCHEMBL23565693 0.88 GPR119 (0.47) GPR119NAMPT
SCHEMBL31647332 0.81 BRD4 (0.45) NAMPTBRD4CREBBPL3MBTL1GRM2
SCHEMBL7037315 0.80 NAMPT (0.48) NAMPTBRD4CREBBPL3MBTL1GRM2
SCHEMBL5846227 0.79 GPR119 (0.53) GPR119BRD4CREBBP
SCHEMBL29089801 0.77 CACNA1H (0.43) GPR119NAMPTBRD4CREBBPL3MBTL1
SCHEMBL3834548 0.76 NAMPT (0.39) NAMPTBRD4CREBBPL3MBTL1GAA
SCHEMBL27086229 0.76 CLK4 (0.40) GPR119PARP1PDCD1CD274
SCHEMBL8228693 0.76 ROCK2 (0.45) NAMPTL3MBTL1
SCHEMBL17350021 0.76 NAMPT (0.49) NAMPTBRD4CREBBPL3MBTL1GRM2

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-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed