SCHEMBL10102017

SCHEMBL10102017

CNc1nc(Nc2ccc(Cc3ccccc3)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.39
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CSNK2A1 P68400 4/20 0.33
MAPK13 O15264 1/20 0.32
SRC P12931 1/20 0.32

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 0.93 ALDH1A1 (0.38) MAP2K1ALDH1A1NPSR1CSNK2A1
SCHEMBL10102105 0.93 ALDH1A1 (0.38) MAP2K1ALDH1A1NPSR1CSNK2A1
SCHEMBL10101989 0.93 HPGD (0.44) MAP2K1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL10102001 0.91 CSNK2A1 (0.35) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10101976 0.89 CDK4 (0.35) MAP2K1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL10102018 0.89 ALDH1A1 (0.31) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10101974 0.88 KDM4E (0.41) MAP2K1HPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10102065 0.87 KMT2A (0.30)
SCHEMBL10102026 0.86 MAP2K1 (0.36) MAP2K1HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL10102015 0.86 KDR (0.31) SRC

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 5 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
EP-2253674-A1 AZO PIGMENT, PIGMENT DISPERSION, COLORING COMPOSITION, AND INKJET RECORDING INK FUJIFILM Corporation (JP) 2010-11-24 EP disclosed