SCHEMBL10102012

SCHEMBL10102012

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.35
RPS27 P42677 2/20 0.35
MAPK8 P45983 2/20 0.35
CCNA2 P20248 2/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
TTK P33981 1/20 0.35
AURKA O14965 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK2 O60674 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAP2K1 Q02750 6/20 0.32
KDR P35968 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
AHR P35869 1/20 0.31
RAB9A P51151 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
SCHEMBL10102014 0.92 MAPT (0.37) PDE4BPDE4DKDM4EALDH1A1HPGD
SCHEMBL10102026 0.90 MAP2K1 (0.36) PDE4BPDE4DAURKAKDM4EALDH1A1
SCHEMBL10102001 0.89 CSNK2A1 (0.35) KDM4EALDH1A1HPGDKDRNPC1
SCHEMBL10102105 0.89 ALDH1A1 (0.38) ALDH1A1MAP2K1CDK4
SCHEMBL10102041 0.89 ALDH1A1 (0.38) ALDH1A1MAP2K1CDK4
SCHEMBL10101976 0.88 CDK4 (0.35) KDM4EALDH1A1HPGDHSD17B10MAP2K1
SCHEMBL10102018 0.88 ALDH1A1 (0.31) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10102052 0.88 NPC1 (0.32) PDE4BPDE4DMAP2K1NPC1RAB9A
SCHEMBL10101989 0.86 HPGD (0.44) CDK2CCNA2KDM4EALDH1A1HPGD
SCHEMBL10101974 0.86 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MAP2K1

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 3 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-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