SCHEMBL4781307

SCHEMBL4781307

CC(=O)C(N=Nc1c(C#N)cnn1-c1ncccn1)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2c(C#N)cnn2-c2ncccn2)C(C)=O)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHEK1 O14757 2/20 0.30

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
SCHEMBL4768142 0.95 GRM4 (0.31) GRM4
SCHEMBL4743055 0.93
SCHEMBL4742942 0.91 HTT (0.36) GRM4HPGDKDM4EALDH1A1GAA
SCHEMBL4742963 0.89 HTT (0.36) ALDH1A1GAAPTGS1PTGS2L3MBTL1
SCHEMBL4781297 0.87 PANK3 (0.34) GRM4PTGS1PTGS2
SCHEMBL4742936 0.86 LMNA (0.38) HPGDKDM4EALDH1A1GAAPTGS1
SCHEMBL4742949 0.85 PKM (0.39) GRM4HPGDKDM4EALDH1A1GAA
SCHEMBL4742972 0.84 POLB (0.41) HPGDALDH1A1
SCHEMBL4742945 0.84 IRAK4 (0.38) KDM4EALDH1A1PTGS1PTGS2L3MBTL1
SCHEMBL4742957 0.84 GFER (0.40) KDM4EALDH1A1

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