SCHEMBL12945645

SCHEMBL12945645

N#Cc1cnn(-c2cnccn2)c1N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
XDH P47989 2/20 0.44
ABL1 P00519 1/20 0.42
KDR P35968 1/20 0.42
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CDK2 P24941 1/20 0.35
PLAUR Q03405 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL824888 0.79 PLAUR (0.52) KDM4EKMT2AMEN1XDHABL1
SCHEMBL6087351 0.78 HSP90AA1 (0.40) HPGDMAOBCDK2NPC1RAB9A
SCHEMBL12062690 0.77 KMT2A (0.55) KDM4EKMT2AMEN1XDHABL1
SCHEMBL824637 0.76 KMT2A (0.54) KDM4EKMT2AMEN1XDHABL1
SCHEMBL12017340 0.75 KMT2A (0.53) KDM4EKMT2AMEN1XDHABL1
SCHEMBL6071143 0.73 KMT2A (0.69) KDM4EKMT2AMEN1XDHABL1
SCHEMBL838742 0.73 KMT2A (0.50) KDM4EKMT2AMEN1XDHABL1
SCHEMBL6071116 0.73 KMT2A (0.61) KDM4EKMT2AMEN1XDHALDH1A1
SCHEMBL12910575 0.71 CYP17A1 (0.35)
SCHEMBL31341725 0.71 KMT2A (0.56) KDM4EKMT2AMEN1XDHALDH1A1

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
US-20110018946-A1 AZO COMPOUNDS, AZO PIGMENTS, AND DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE AZO COMPOUNDS OR AZO PIGMENTS, INK TANK FOR INKJET RECORDING, INKJET RECORDING METHOD, AND RECORDED PRODUCTS FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed