SCHEMBL4554726

SCHEMBL4554726

NCc1cc2sc(Cl)cc2c(N2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 5/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PIK3CA P42336 4/20 0.36
PIK3R1 P27986 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTOR P42345 1/20 0.35
NPC1 O15118 2/20 0.35
ALOX15 P16050 2/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
PRKDC P78527 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
SCHEMBL3778364 0.87 SMN1; SMN2 (0.38) SMN1; SMN2MAPTRAB9AKDM4ECYP1A2
SCHEMBL10276093 0.86 RAB9A (0.41) SMN1; SMN2MAPTRAB9AKDM4EPIK3CA
SCHEMBL1860764 0.84 NCF1 (0.45) SMN1; SMN2MAPTRAB9AKDM4ECYP1A2
SCHEMBL10276136 0.82 HRH3 (0.38) SMN1; SMN2MAPTRAB9AKDM4EPIK3CA
SCHEMBL4392568 0.81 KMT2A (0.36) SMN1; SMN2MAPTRAB9APIK3CAPIK3R1
SCHEMBL14954840 0.80 SMN1; SMN2 (0.40) SMN1; SMN2MAPTRAB9AKDM4ECYP1A2
SCHEMBL10275931 0.79 HRH3 (0.44) PIK3CAMTOR
SCHEMBL3782027 0.79 LGMN (0.35) SMN1; SMN2MAPTRAB9AKDM4ECYP1A2
SCHEMBL4566067 0.79 SMN1; SMN2 (0.40) SMN1; SMN2MAPTRAB9AKDM4ECYP1A2
SCHEMBL4564507 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MAPTRAB9AKDM4ECYP1A2

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