SCHEMBL4555862

SCHEMBL4555862

CC(=O)Nc1cccc(-c2cc3sc(Cl)cc3c(N3CCOCC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.51
MTOR P42345 5/20 0.51
PIK3CA P42336 4/20 0.51
PIK3C2B O00750 3/20 0.51
PRKDC P78527 2/20 0.50
MOK Q9UQ07 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
PIK3R1 P27986 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
ATR Q13535 1/20 0.43
ATRIP Q8WXE1 1/20 0.43

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
SCHEMBL4252078 0.89 NPC1 (0.46) BRAFMTORPIK3CAPIK3C2BMOK
SCHEMBL4554179 0.84 KMO (0.47) MTORPIK3CAPIK3C2BPRKDCNPC1
SCHEMBL4562888 0.81 RAB9A (0.39) BRAFMTORPIK3CAPIK3C2BNPC1
SCHEMBL4554583 0.80 PIK3CA (0.47) MTORPIK3CAPIK3C2BPRKDCNPC1
SCHEMBL4392546 0.80 PRKDC (0.43) MTORPIK3CAPIK3C2BPRKDCKDM4E
SCHEMBL4433857 0.78 PRKDC (0.57) BRAFMTORPIK3CAPIK3C2BPRKDC
SCHEMBL4566064 0.76 PIK3CA (0.39) MTORPIK3CAPIK3C2BPRKDCKDM4E
SCHEMBL1192386 0.74 MTOR (0.51) BRAFMTORPIK3CAPIK3C2BPRKDC
SCHEMBL5109688 0.74 PRKDC (0.57) BRAFMTORPIK3CAPIK3C2BPRKDC
SCHEMBL1858728 0.72 NPC1 (0.51) MTORPIK3CANPC1RAB9AKDM4E

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