SCHEMBL4742945

SCHEMBL4742945

CC(=O)C(N=Nc1c(C#N)cnn1-c1ncccn1)C(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.38
SLC2A1 P11166 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
PKMYT1 Q99640 1/20 0.31
EPHB3 P54753 1/20 0.31

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
SCHEMBL4742955 0.91 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2GLAMEN1
SCHEMBL4742936 0.89 LMNA (0.38) L3MBTL1KDM4ENPC1ALDH1A1MAPT
SCHEMBL4742942 0.88 HTT (0.36) L3MBTL1KDM4ENPC1ALDH1A1MAPT
SCHEMBL4742957 0.86 GFER (0.40) IRAK4KDM4ENPC1ALDH1A1MAPT
SCHEMBL4742963 0.86 HTT (0.36) L3MBTL1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4742949 0.86 PKM (0.39) KDM4EALDH1A1MAPTSMN1; SMN2PTGS1
SCHEMBL4781297 0.85 PANK3 (0.34) PTGS1PTGS2PKM
SCHEMBL4742972 0.84 POLB (0.41) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL4781307 0.84 GRM4 (0.32) L3MBTL1KDM4EALDH1A1PTGS1PTGS2
SCHEMBL4780174 0.81 GFER (0.41) IRAK4KDM4ENPC1ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed