SCHEMBL10101894

SCHEMBL10101894

CS(=O)(=O)Nc1nc(N)c(/N=N/c2c(C#N)cnn2-c2ncccn2)c(N)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
SLC22A12 Q96S37 1/20 0.31
CSNK2A2 P19784 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
SCHEMBL10101838 0.85 CDK2 (0.35) PTGS1PTGS2
SCHEMBL10102099 0.85 CDK2 (0.35) PTGS1PTGS2
SCHEMBL10101903 0.82
SCHEMBL12905196 0.80 KMT2A (0.34)
SCHEMBL13068734 0.75 CDK2 (0.32)
SCHEMBL4742501 0.73 KCNH2 (0.39) SLC22A12CSNK2A2
SCHEMBL13069060 0.72 PDE10A (0.34)
SCHEMBL13069077 0.71 ALDH1A1 (0.37)
SCHEMBL4742378 0.70 NPC1 (0.36)
SCHEMBL10101923 0.70 ALDH1A1 (0.33)

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