SCHEMBL5511974

SCHEMBL5511974

COc1ccc2ncc(Cl)c(OC[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.40
SLC2A1 P11166 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1B P49286 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
RORC P51449 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 1/20 0.37
STS P08842 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.36
SSTR4 P31391 1/20 0.36
ERBB2 P04626 1/20 0.36
EPHA2 P29317 1/20 0.36
EPHB4 P54760 1/20 0.36

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
SCHEMBL5511982 1.00 JAK3 (0.40) JAK3SLC2A1HTTMEN1KMT2A
SCHEMBL632999 0.73 PIK3CD (0.51) SLC2A1MTNR1BPIK3CDPIK3CAPIK3CB
SCHEMBL5324970 0.72 STS (0.47) JAK3STS
SCHEMBL5324981 0.72 STS (0.47) JAK3STS
SCHEMBL5324977 0.72 STS (0.47) JAK3STS
SCHEMBL25398801 0.72 JAK3 (0.43) JAK3
SCHEMBL5185222 0.71 DGAT2 (0.38) SLC2A1PIK3CA
SCHEMBL29912881 0.71 GPR119 (0.47) JAK3
SCHEMBL30120374 0.71 JAK3 (0.40) JAK3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24753737 0.71 JAK3 (0.40) JAK3PIK3CDPIK3CAPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed