SCHEMBL7027680

SCHEMBL7027680

O=C(O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
DPP4 P27487 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSPB1 P04792 1/20 0.38
MAPK8 P45983 1/20 0.37
NPY2R P49146 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
KDM6B O15054 1/20 0.37
FTO Q9C0B1 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL5089586 0.88 MAPT (0.45) GSK3BDPP4MKNK1MKNK2MEN1
SCHEMBL5089316 0.83 GSK3B (0.48) GSK3BDPP4MKNK1MKNK2MEN1
SCHEMBL7249883 0.82 GSK3B (0.54) GSK3BDPP4MKNK1MKNK2MEN1
SCHEMBL7249886 0.81 GSK3B (0.73) GSK3BDPP4MKNK1MKNK2MEN1
SCHEMBL5100095 0.81 MAPT (0.48) GSK3BDPP4MKNK1MKNK2MEN1
SCHEMBL7148207 0.81 GSK3B (0.46) GSK3BDPP4MKNK1MKNK2MEN1
SCHEMBL5093412 0.80 GSK3B (0.57) GSK3BDPP4MKNK1MKNK2MEN1
SCHEMBL27559775 0.80 GSK3B (0.48) GSK3BDPP4MKNK1MKNK2MEN1
SCHEMBL7026103 0.79 GSK3B (0.45) GSK3BDPP4MKNK1MKNK2MEN1
SCHEMBL6085675 0.79 MAPT (0.47) GSK3BDPP4MKNK1MKNK2MEN1

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