SCHEMBL7143768

SCHEMBL7143768

CC(=O)Nc1ccc(-c2ccnc(NCCNc3ccc([N+](=O)[O-])cn3)n2)cc1.Nc1ncc(CCCn2cnc3ccccc32)c(-c2ccccc2-c2c[nH]cn2)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
JAK2 O60674 3/20 0.34
JAK3 P52333 2/20 0.32
IKBKB O14920 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
SCHEMBL7028118 0.74 TDP1 (0.40)
SCHEMBL5094808 0.74 GAA (0.52) MKNK1MKNK2JAK2JAK3
SCHEMBL4398202 0.73 MKNK1 (0.53) MKNK1MKNK2
SCHEMBL7143770 0.72 MKNK1 (0.45) MKNK1MKNK2
SCHEMBL5100325 0.69 MKNK2 (0.75) MKNK1MKNK2
SCHEMBL5095181 0.68 MKNK1 (0.42) MKNK1MKNK2
SCHEMBL7143772 0.68 GSK3B (0.41) MKNK1MKNK2JAK2JAK3
SCHEMBL5091775 0.65 MAPT (0.43) MKNK1MKNK2
SCHEMBL5089535 0.64 MKNK1 (0.50) MKNK1MKNK2
SCHEMBL5093386 0.64 MKNK1 (0.53) MKNK1MKNK2

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
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed