SCHEMBL10102113

SCHEMBL10102113

CNc1nc(NC)c(N=Nc2c(C#N)cnn2-c2ncccn2)c(N2CCOCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TRPV1 Q8NER1 1/20 0.34
LRRK2 Q5S007 2/20 0.34
CCNT1 O60563 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CDK9 P50750 2/20 0.34
HSD17B10 Q99714 3/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 3/20 0.33
KHK P50053 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK1 P28482 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
SCHEMBL10101958 1.00 TSHR (0.37) TSHRMEN1USP2POLBKMT2A
SCHEMBL10106457 0.94 SMN1; SMN2 (0.33) TSHRMEN1POLBKMT2AHTT
SCHEMBL10101889 0.92 MEN1 (0.38) TSHRMEN1USP2POLBKMT2A
SCHEMBL10101888 0.90 IKBKB (0.41) TSHRMEN1USP2POLBKMT2A
SCHEMBL10101952 0.88 ALDH1A1 (0.38) TSHRMEN1USP2POLBKMT2A
SCHEMBL13068734 0.87 CDK2 (0.32) ALDH1A1LRRK2CDK2
SCHEMBL10101957 0.86
SCHEMBL10101823 0.84 HTT (0.36) TSHRMEN1USP2POLBKMT2A
SCHEMBL10102088 0.84 HTT (0.36) TSHRMEN1USP2POLBKMT2A
SCHEMBL10101897 0.79 ALDH1A1 (0.35) TSHRMEN1USP2POLBKMT2A

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 2 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