SCHEMBL10101888

SCHEMBL10101888

CNc1nc(N)nc(N2CCOCC2)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
PIK3CA P42336 3/20 0.34
CTSK P43235 3/20 0.34
PIK3CD O00329 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
LRRK2 Q5S007 3/20 0.33
PIK3CB P42338 1/20 0.33
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS1 P29475 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
SCHEMBL10101889 0.91 MEN1 (0.38) MEN1USP2POLBTSHRKMT2A
SCHEMBL10101958 0.90 TSHR (0.37) MEN1USP2POLBTSHRKMT2A
SCHEMBL10102113 0.90 TSHR (0.37) MEN1USP2POLBTSHRKMT2A
SCHEMBL10101952 0.87 ALDH1A1 (0.38) MEN1USP2POLBTSHRKMT2A
SCHEMBL10102088 0.83 HTT (0.36) MEN1USP2POLBTSHRKMT2A
SCHEMBL10101823 0.83 HTT (0.36) MEN1USP2POLBTSHRKMT2A
SCHEMBL10106457 0.83 SMN1; SMN2 (0.33) MEN1POLBTSHRKMT2AHTT
SCHEMBL10101897 0.79 ALDH1A1 (0.35) MEN1USP2POLBTSHRKMT2A
SCHEMBL10101913 0.78 ALDH1A1 (0.35) MEN1POLBTSHRKMT2AHTT
SCHEMBL10101969 0.78 ALDH1A1 (0.36) MEN1POLBTSHRKMT2AHTT

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