SCHEMBL4554583

SCHEMBL4554583

Nc1cccc(-c2cc3sc(Cl)cc3c(N3CCOCC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.47
MTOR P42345 6/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CG P48736 1/20 0.45
JAK2 O60674 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PRKDC P78527 2/20 0.42
PIK3CB P42338 1/20 0.42
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3R1 P27986 2/20 0.40

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
SCHEMBL4554179 0.85 KMO (0.47) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL4392546 0.84 PRKDC (0.43) PIK3CAMTORPIK3CDKDM4EALDH1A1
SCHEMBL4555862 0.80 BRAF (0.51) PIK3CAMTORKDM4EALDH1A1PRKDC
SCHEMBL1860764 0.80 NCF1 (0.45) PIK3CAKDM4EALDH1A1HPGDMAPK1
SCHEMBL4252078 0.79 NPC1 (0.46) PIK3CAMTORPIK3CDJAK2PIK3CB
SCHEMBL4566064 0.77 PIK3CA (0.39) PIK3CAMTORPIK3CGKDM4EALDH1A1
SCHEMBL14954840 0.74 SMN1; SMN2 (0.40) PIK3CAKDM4EALDH1A1HPGDMAPK1
SCHEMBL4554726 0.73 SMN1; SMN2 (0.38) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL1263031 0.73 MAPT (0.54) PIK3CAMTORPIK3CDPIK3CGJAK2
SCHEMBL4565478 0.72 KDM4E (0.38) PIK3CAKDM4EALDH1A1HPGDMAPK1

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