SCHEMBL4564369

SCHEMBL4564369

CC(C)(O)c1cc2sc(Cl)cc2c(N2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
PIK3CA P42336 9/20 0.39
MTOR P42345 5/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
SYK P43405 1/20 0.39
MAP3K9 P80192 1/20 0.39
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
CFTR P13569 1/20 0.35
PIK3R1 P27986 4/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL4566067 0.89 SMN1; SMN2 (0.40) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL1860764 0.79 NCF1 (0.45) SMN1; SMN2PIK3CAPIK3CBLMNAKDM4E
SCHEMBL14954840 0.78 SMN1; SMN2 (0.40) SMN1; SMN2PIK3CALMNAKDM4EALDH1A1
SCHEMBL4385559 0.77 CSNK2A2 (0.49) SMN1; SMN2PIK3CAPIK3CDPIK3CBKDM4E
SCHEMBL4555187 0.76 HTT (0.43) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL4564507 0.76 SMN1; SMN2 (0.39) SMN1; SMN2PIK3CAMTORPIK3CBLMNA
SCHEMBL3778364 0.75 SMN1; SMN2 (0.38) SMN1; SMN2PIK3CAMTORLMNAKDM4E
SCHEMBL1864535 0.75 SMN1; SMN2 (0.38) SMN1; SMN2PIK3CALMNAKDM4EALDH1A1
SCHEMBL4554726 0.75 SMN1; SMN2 (0.38) SMN1; SMN2PIK3CAMTORLMNAKDM4E
SCHEMBL4565478 0.74 KDM4E (0.38) SMN1; SMN2PIK3CAPIK3CBLMNAKDM4E

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-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed