SCHEMBL10102018

SCHEMBL10102018

CNc1nc(Nc2ccncc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
BUB1 O43683 1/20 0.30
MAP4K4 O95819 1/20 0.30
HPGD P15428 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL10102041 0.94 ALDH1A1 (0.38) ALDH1A1
SCHEMBL10102105 0.94 ALDH1A1 (0.38) ALDH1A1
SCHEMBL10102001 0.93 CSNK2A1 (0.35) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL10101976 0.91 CDK4 (0.35) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL10102065 0.90 KMT2A (0.30)
SCHEMBL10101989 0.90 HPGD (0.44) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL10101974 0.90 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL10102017 0.89 MAP2K1 (0.39) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL10102024 0.89 KMT2A (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10102026 0.88 MAP2K1 (0.36) ALDH1A1HPGDCYP3A4CYP2C9CYP2C19

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