SCHEMBL2213856

SCHEMBL2213856

O=C(Nc1ccc(Nc2nc(-c3ccc(-c4ccc(F)cc4)cc3)cc3ccnn23)cc1)c1ccc2c(c1)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 3/20 0.48
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
SLC2A1 P11166 2/20 0.42
WNT1 P04628 4/20 0.42
GSK3B P49841 4/20 0.42
DYRK1A Q13627 4/20 0.42
AURKA O14965 2/20 0.40
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
PTPN1 P18031 2/20 0.38
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL2211714 0.91 MELK (0.46) MELKF2PLGPLAUPLAT
SCHEMBL2214210 0.87 WNT1 (0.42) MELKF2PLGPLAUPLAT
SCHEMBL2214775 0.87 PLAU (0.49) MELKF2PLGPLAUPLAT
SCHEMBL2215892 0.86 PLG (0.45) MELKF2PLGPLAUPLAT
SCHEMBL2209752 0.81 ABCB1 (0.41) MAPTMAP3K5
SCHEMBL2215111 0.80 F2 (0.40) MELKF2PLGPLAUPLAT
SCHEMBL2215284 0.79 F2 (0.39) MELKF2PLGPLAUPLAT
SCHEMBL2215297 0.79 PTPN1 (0.45) PLGPLAUPLATKLKB1PRSS1
SCHEMBL2213844 0.78 PTPN1 (0.43) PTPN1PTPN6PTPN11NPC1TP53
SCHEMBL2881842 0.77 GAK (0.46) GSK3B

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