SCHEMBL4781297

SCHEMBL4781297

CC(=O)C(N=Nc1c(C#N)cnn1-c1ncccn1)C(=O)Nc1ccc(NC(=O)C(N=Nc2c(C#N)cnn2-c2ncccn2)C(C)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
GRM4 Q14833 4/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRB1 P08588 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KDR P35968 1/20 0.32
MALT1 Q9UDY8 2/20 0.31
ELANE P08246 1/20 0.31
LDHA P00338 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
SCHEMBL4742949 0.96 PKM (0.39) PKMTSHRGRM4PTGS1PTGS2
SCHEMBL4743047 0.92 PANK3 (0.30) PANK3PKMTSHR
SCHEMBL4743005 0.88 F11 (0.37)
SCHEMBL4742936 0.88 LMNA (0.38) PKMTSHRPTGS1PTGS2
SCHEMBL4742963 0.87 HTT (0.36) PTGS1PTGS2
SCHEMBL4742942 0.87 HTT (0.36) GRM4
SCHEMBL4781307 0.87 GRM4 (0.32) GRM4PTGS1PTGS2
SCHEMBL4768039 0.86 THRB (0.32)
SCHEMBL4742972 0.85 POLB (0.41) PKMKDR
SCHEMBL4742945 0.85 IRAK4 (0.38) PKMPTGS1PTGS2

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 2 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-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed