SCHEMBL22336563

SCHEMBL22336563

COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(N)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 12/20 0.74
PIK3CD O00329 5/20 0.73
PIK3CG P48736 4/20 0.72
PIK3C2G O75747 3/20 0.72
PIK3CA P42336 2/20 0.72
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CFTR P13569 1/20 0.52
NR2F2 P24468 1/20 0.52

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
SCHEMBL29265054 0.92 PI4KB (0.69) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL48498 0.89 PIK3CD (0.72) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL24535632 0.89 PIK3CD (0.78) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL29265057 0.88 PI4KB (0.64) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL29265070 0.87 PI4KB (0.63) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL30792284 0.87 PIK3CD (0.58) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL30792286 0.87 PI4KB (0.62) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL22338451 0.86 PIK3CD (0.74) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL22336672 0.86 PIK3CD (0.83) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA
SCHEMBL48560 0.85 PI4KB (0.60) PI4KBPIK3CDPIK3CGPIK3C2GPIK3CA

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-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 WO disclosed