SCHEMBL2215892

SCHEMBL2215892

O=C(Nc1ccc(Nc2nc(-c3ccc(-c4cccc([N+](=O)[O-])c4)cc3)cc3ccnn23)cc1)c1ccc2c(c1)CCNC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.45
PLAU P00749 2/20 0.45
PLAT P00750 2/20 0.45
ABCB1 P08183 2/20 0.39
WNT1 P04628 2/20 0.39
GSK3B P49841 2/20 0.39
DYRK1A Q13627 2/20 0.39
F2 P00734 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
ABCC1 P33527 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2 P17301 2/20 0.37
SLC2A1 P11166 1/20 0.37
MELK Q14680 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL2214210 0.87 WNT1 (0.42) PLGPLAUPLATWNT1GSK3B
SCHEMBL2214775 0.87 PLAU (0.49) PLGPLAUPLATABCB1WNT1
SCHEMBL2213856 0.86 MELK (0.48) PLGPLAUPLATWNT1GSK3B
SCHEMBL2211714 0.85 MELK (0.46) PLGPLAUPLATWNT1GSK3B
SCHEMBL2882070 0.83 PLG (0.43) PLGPLAUPLATABCB1ABCC1
SCHEMBL2253893 0.81 PLG (0.44) PLGPLAUPLATABCB1ABCC1
SCHEMBL2881793 0.80 CSNK2A1 (0.46) PLGPLAUPLATABCB1GSK3B
SCHEMBL2215111 0.78 F2 (0.40) PLGPLAUPLATWNT1GSK3B
SCHEMBL2215284 0.77 F2 (0.39) PLGPLAUPLATWNT1GSK3B
SCHEMBL2881795 0.77 PLK1 (0.44) MEN1KMT2ACSNK2A1RAB9A

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
EP-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed