SCHEMBL10102040

SCHEMBL10102040

CNc1nc(Nc2ccc(C)cc2)nc(NC)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.43
CDK1 P06493 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 1/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC2A1 P11166 1/20 0.33
NPY5R Q15761 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 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
SCHEMBL10102063 0.98 CSNK2A1 (0.42) CSNK2A1CDK1KDRALDH1A1SMN1; SMN2
SCHEMBL10102001 0.87 CSNK2A1 (0.35) CSNK2A1CDK1KDRALDH1A1SMN1; SMN2
SCHEMBL13068734 0.87 CDK2 (0.32) ALDH1A1SMN1; SMN2CDK2
SCHEMBL10102105 0.81 ALDH1A1 (0.38) CSNK2A1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10102041 0.81 ALDH1A1 (0.38) CSNK2A1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10101976 0.81 CDK4 (0.35) CSNK2A1ALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL10102018 0.80 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2POLB
SCHEMBL10101903 0.79
SCHEMBL10101989 0.79 HPGD (0.44) ALDH1A1SMN1; SMN2LMNATDP1POLB
SCHEMBL10101974 0.79 KDM4E (0.41) CDK1KDRALDH1A1SMN1; SMN2MAPK1

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