SCHEMBL18171864

SCHEMBL18171864

C[C@H](c1ccccc1)N(C)c1nnc2cc(Br)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.42
RPS6KB1 P23443 1/20 0.40
NUDT1 P36639 1/20 0.38
RXFP1 Q9HBX9 1/20 0.34
AR P10275 4/20 0.33
SRC P12931 1/20 0.33
DPP4 P27487 1/20 0.32
PGR P06401 1/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CD O00329 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
PRNP P04156 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CA P42336 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20445817 0.80 RPS6KB1 (0.56) RPS6KB1NUDT1RXFP1ARPGR
SCHEMBL20445816 0.80 RPS6KB1 (0.56) RPS6KB1NUDT1RXFP1ARPGR
SCHEMBL18171880 0.77 NUDT1 (0.42) RPS6KB1NUDT1ARSRCPGR
SCHEMBL18171862 0.71 L3MBTL1 (0.43) PABPC1RPS6KB1NUDT1LMNAL3MBTL1
SCHEMBL18176360 0.70 RPS6KB1 (0.79) RPS6KB1
Hydrochloric Acid SCHEMBL18171888 0.69 RPS6KB1 (0.78) RPS6KB1
SCHEMBL27449699 0.67 SRC (0.42) NUDT1SRC
SCHEMBL780421 0.65 NUDT1 (0.47) NUDT1ARHTT
SCHEMBL27851794 0.65 NUDT1 (0.47) NUDT1ARHTT
SCHEMBL18171887 0.65 NUDT1 (0.47) NUDT1ARHTT

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