SCHEMBL10102105

SCHEMBL10102105

CNc1nc(Nc2ccccc2)c(C#N)c(C)c1N=Nc1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CSNK2A1 P68400 8/20 0.34
MAP2K1 Q02750 4/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL10102041 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACSNK2A1MAP2K1
SCHEMBL10102001 0.94 CSNK2A1 (0.35) ALDH1A1MEN1KMT2ACSNK2A1NPSR1
SCHEMBL10102018 0.94 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10102017 0.93 MAP2K1 (0.39) ALDH1A1CSNK2A1MAP2K1NPSR1
SCHEMBL10101976 0.92 CDK4 (0.35) ALDH1A1MEN1KMT2ACSNK2A1MAP2K1
SCHEMBL10102024 0.91 KMT2A (0.39) ALDH1A1MEN1KMT2ARXFP1
SCHEMBL10102065 0.91 KMT2A (0.30) KMT2A
SCHEMBL10101989 0.91 HPGD (0.44) ALDH1A1MAP2K1NPSR1
SCHEMBL10101974 0.91 KDM4E (0.41) ALDH1A1MEN1KMT2AMAP2K1RXFP1
SCHEMBL10102015 0.90 KDR (0.31)

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-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed