SCHEMBL2214775

SCHEMBL2214775

COc1cccc(-c2ccc(-c3cc4ccnn4c(Nc4ccc(NC(=O)c5ccc6c(c5)CCNC6)cc4)n3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 11/20 0.49
PLG P00747 6/20 0.49
PLAT P00750 6/20 0.49
MELK Q14680 1/20 0.42
DYRK1A Q13627 2/20 0.41
ROCK2 O75116 1/20 0.41
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
F2 P00734 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCB1 P08183 1/20 0.40
JAK1 P23458 1/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39

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 0.89 WNT1 (0.42) PLAUPLGPLATMELKDYRK1A
SCHEMBL2213856 0.87 MELK (0.48) PLAUPLGPLATMELKDYRK1A
SCHEMBL2215892 0.87 PLG (0.45) PLAUPLGPLATMELKDYRK1A
SCHEMBL2211714 0.86 MELK (0.46) PLAUPLGPLATMELKDYRK1A
SCHEMBL2216324 0.84 PLAU (0.43) PLAUPLGPLATROCK2NPC1
SCHEMBL2215189 0.82 PLAU (0.50) PLAUPLGPLATNPC1POLB
SCHEMBL2213349 0.80 PLAU (0.48) PLAUPLGPLATNPC1POLB
SCHEMBL2876730 0.80 PLAU (0.52) PLAUPLGPLATGSK3BNPC1
SCHEMBL2215111 0.79 F2 (0.40) PLAUPLGPLATMELKDYRK1A
SCHEMBL2214976 0.78 MAPT (0.47) PLAUPLGPLATNPC1POLB

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