SCHEMBL18171876

SCHEMBL18171876

CN(Cc1ccccc1)c1cnc2cc(Br)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 2/20 0.54
PIK3CD O00329 1/20 0.54
PIK3R1 P27986 1/20 0.54
HTT P42858 1/20 0.54
HIF1A Q16665 1/20 0.54
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
ERAP1 Q9NZ08 1/20 0.44
PIK3CA P42336 1/20 0.42
PDE5A O76074 1/20 0.40
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAOB P27338 2/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL782036 0.87 PIK3CA (0.43) SMN1; SMN2LMNAPIK3CDPIK3R1HTT
SCHEMBL780459 0.84 MAOB (0.49) SMN1; SMN2LMNAPIK3CDPIK3R1HTT
SCHEMBL782078 0.80 AGXT (0.42) SMN1; SMN2LMNAPIK3CDPIK3R1HTT
SCHEMBL780097 0.80 PIK3CA (0.48) SMN1; SMN2KMT2AMAPTTSHRERAP1
SCHEMBL781082 0.80 PIK3CA (0.48) SMN1; SMN2LMNAPIK3CDPIK3R1HTT
SCHEMBL780100 0.77 PIK3CA (0.46) SMN1; SMN2KMT2AMAPTTSHRPIK3CA
SCHEMBL782822 0.76 PIK3CA (0.45) SMN1; SMN2LMNAPIK3CDPIK3R1HTT
Hydrochloric Acid SCHEMBL781422 0.76 PIK3CA (0.45) SMN1; SMN2KMT2AMAPTTSHRPIK3CA
SCHEMBL18171877 0.76 DGAT1 (0.43) SMN1; SMN2LMNAPIK3CDPIK3R1HTT
SCHEMBL21842701 0.75 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPIK3CDPIK3R1HTT

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-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed