SCHEMBL28970119

SCHEMBL28970119

CC1CN(C(=O)OC(C)(C)C)Cc2c(I)nn(C)c21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NAMPT P43490 1/20 0.33
THRB P10828 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK2 Q15119 3/20 0.32
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PREP P48147 1/20 0.32
EPHX2 P34913 1/20 0.32
PDK1 Q15118 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL28970112 0.80 NR1H2 (0.35) NR1H2MAPTNAMPTGPR119USP2
SCHEMBL31699764 0.79 ADORA1 (0.40) NR1H2MAPTKDM4ETHRBGPR119
SCHEMBL26429393 0.78 USP2 (0.36) NR1H2MAPTKDM4ETHRBGPR119
SCHEMBL25199915 0.74 ESR2 (0.42) NR1H2MAPTUSP2SMN1; SMN2
SCHEMBL28970100 0.73 NR1H2 (0.37) NR1H2MAPTKDM4ENAMPTTHRB
SCHEMBL31549248 0.72 USP2 (0.43) NR1H2MAPTKDM4ETHRBGPR119
SCHEMBL31700008 0.71 NR1H2 (0.34) NR1H2MAPTNAMPTTHRBGPR119
SCHEMBL31699299 0.71 CNR1 (0.36) NR1H2MAPTNAMPTGPR119USP2
SCHEMBL21597812 0.70 NR1H2 (0.44) NR1H2MAPTKDM4ENAMPTTHRB
SCHEMBL950867 0.70 NR1H2 (0.44) NR1H2MAPTKDM4ENAMPTTHRB

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
CN-115806561-A JAK3 selective inhibitors and uses thereof 南京药石科技股份有限公司 2023-03-17 CN disclosed