SCHEMBL18171880

SCHEMBL18171880

C[C@H](c1ccccc1)N(C)c1cnc2cc(Br)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
AR P10275 4/20 0.41
PGR P06401 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RPS6KB1 P23443 1/20 0.37
PTGES O14684 3/20 0.36
LMNA P02545 2/20 0.34
HIF1A Q16665 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 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
SCHEMBL782016 0.77 ROCK2 (0.42) NUDT1RPS6KB1
SCHEMBL780600 0.77 ROCK2 (0.42) NUDT1RPS6KB1
SCHEMBL20572016 0.77 ROCK2 (0.42) NUDT1RPS6KB1
SCHEMBL18171864 0.77 PABPC1 (0.42) NUDT1ARPGRJAK2JAK3
SCHEMBL20445816 0.76 RPS6KB1 (0.56) NUDT1ARPGRJAK2JAK3
SCHEMBL20445817 0.76 RPS6KB1 (0.56) NUDT1ARPGRJAK2JAK3
SCHEMBL21842694 0.76 NUDT1 (0.38) NUDT1ARPGRJAK2JAK3
SCHEMBL18171876 0.75 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EMEN1NPC1ALDH1A1
SCHEMBL780421 0.75 NUDT1 (0.47) NUDT1ARMEN1MAPTKMT2A
SCHEMBL27851794 0.75 NUDT1 (0.47) NUDT1ARMEN1MAPTKMT2A

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