SCHEMBL5339650

SCHEMBL5339650

C#Cc1ccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRA6 Q16445 2/20 0.39
CYP17A1 P05093 2/20 0.38
PSMB8 P28062 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
MAPKAPK2 P49137 3/20 0.35
NAMPT P43490 1/20 0.34
MAP4K4 O95819 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA4 P48169 1/20 0.34
RET P07949 1/20 0.33
ABCC9 O60706 1/20 0.33

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
SCHEMBL17560512 0.88 ABCC9 (0.47) PTPN11CYP17A1MAPKAPK2ABCC9KCNJ11
SCHEMBL17560513 0.88 ABCC9 (0.47) PTPN11CYP17A1MAPKAPK2ABCC9KCNJ11
SCHEMBL10092627 0.87 CYP17A1 (0.48) PTPN11CYP17A1PSMB8NR1H4PTPN2
SCHEMBL14155353 0.87 CYP17A1 (0.48) PTPN11CYP17A1PSMB8NR1H4PTPN2
SCHEMBL17902832 0.84 MIF (0.45) PTPN11CYP17A1PSMB8NR1H4MAPKAPK2
SCHEMBL17894453 0.84 MIF (0.45) PTPN11CYP17A1PSMB8NR1H4MAPKAPK2
SCHEMBL13293398 0.84 CYP17A1 (0.43) PTPN11CYP17A1PSMB8NR1H4PTPN2
SCHEMBL3777965 0.84 CYP17A1 (0.40) PTPN11CYP17A1PSMB8NR1H4
SCHEMBL13062960 0.84 CYP17A1 (0.40) PTPN11CYP17A1PSMB8NR1H4
SCHEMBL3777963 0.84 CYP17A1 (0.40) PTPN11CYP17A1PSMB8NR1H4

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-1824468-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2007-08-29 EP disclosed
WO-2006054298-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2006-05-26 WO disclosed