SCHEMBL2211370

SCHEMBL2211370

NCc1ccnc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 10/20 0.34
LOX P28300 9/20 0.33
NAMPT P43490 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
PLG P00747 3/20 0.32
KLK1 P06870 3/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
PRSS1 P07477 1/20 0.32
KLK6 Q92876 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL2214689 0.91 NAMPT (0.34) NAMPTCDK2PLGKLK1F2
SCHEMBL2215134 0.89 LOXL2 (0.38) LOXL2LOXNAMPTPLGKLK1
SCHEMBL2214178 0.89 KDM4E (0.39) LOXL2NAMPTPLGKLK1F2
SCHEMBL2211719 0.88 LOXL2 (0.35) LOXL2NAMPTCDK2KDRMAPT
SCHEMBL2214698 0.88 BRD4 (0.38) NAMPTMAPTKDM4E
SCHEMBL2211773 0.87 PLG (0.38) LOXL2NAMPTPLGKLK1KLK6
SCHEMBL2213184 0.87 LOXL2 (0.39) LOXL2LOXNAMPTCDK2PLG
SCHEMBL2211331 0.87 KDM4E (0.39) LOXL2NAMPTPLGKLK1F2
SCHEMBL2253400 0.86 MEN1 (0.35) LOXL2NAMPTPLGKLK1KLK6
SCHEMBL2215195 0.84 MEN1 (0.45) MAPTHPGDSMN1; SMN2KDM4EALDH1A1

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