SCHEMBL28970100

SCHEMBL28970100

CC1CN(C(=O)OC(C)(C)C)Cc2c1n[nH]c2I

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.37
PREP P48147 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
HTT P42858 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
NAMPT P43490 1/20 0.33

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 0.79 NR1H2 (0.35) NR1H2PREPDDB1CRBNGPR119
SCHEMBL5720840 0.77 NR1H2 (0.40) NR1H2DDB1CRBNUSP2SMN1; SMN2
SCHEMBL23794838 0.75 NR1H2 (0.43) NR1H2PREPDDB1CRBNGPR119
SCHEMBL20067497 0.75 HCAR2 (0.49)
SCHEMBL31699304 0.75 HCAR2 (0.49)
SCHEMBL16924576 0.73 POLB (0.36) NR1H2PREPGPR119MAPTUSP2
SCHEMBL28970119 0.73 NR1H2 (0.35) NR1H2PREPGPR119KDM4EMAPT
SCHEMBL22069219 0.72 DDB1 (0.36) NR1H2PREPDDB1CRBNGPR119
SCHEMBL950867 0.71 NR1H2 (0.44) NR1H2DDB1CRBNGPR119KDM4E
SCHEMBL21597812 0.71 NR1H2 (0.44) NR1H2DDB1CRBNGPR119KDM4E

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