SCHEMBL18171863

SCHEMBL18171863

C[C@H](c1ccccc1)N(C)c1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
NUDT1 P36639 1/20 0.37
AR P10275 4/20 0.36
PGR P06401 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
EGFR P00533 2/20 0.33
DGAT1 O75907 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
RPS6KB1 P23443 1/20 0.33
ALPL P05186 1/20 0.32
SNCA P37840 1/20 0.31
ESR2 Q92731 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL20445884 0.80 RPS6KB1 (0.49) LPLLIPGNUDT1ARPGR
SCHEMBL20445886 0.80 RPS6KB1 (0.49) LPLLIPGNUDT1ARPGR
SCHEMBL18171882 0.79 NUDT1 (0.40) LPLLIPGNUDT1AR
SCHEMBL18171877 0.79 DGAT1 (0.43) LPLLIPGEGFRDGAT1IRAK4
SCHEMBL18171880 0.77 NUDT1 (0.42) NUDT1ARPGRJAK2JAK3
SCHEMBL29339757 0.76 AR (0.44) LPLLIPGARPGRIDO1
SCHEMBL1818313 0.76 LPL (0.38) LPLLIPGIDO1TDO2EGFR
SCHEMBL29414473 0.76 LPL (0.38) LPLLIPGIDO1TDO2EGFR
SCHEMBL25606443 0.76 EGFR (0.46) LPLLIPGIDO1TDO2EGFR
SCHEMBL31503579 0.74 TLR9 (0.52) LPLLIPGDGAT1PDGFRBKDR

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