SCHEMBL1685352

SCHEMBL1685352

CCOC(=O)C1(C)CCN(c2ncc(-c3cc(-c4cn(C)nn4)c4sc(N)nc4c3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.34
▸ GSK3B P49841 3/20 0.33
▸ DYRK1A Q13627 3/20 0.33
▸ AXL P30530 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PIK3R1 P27986 3/20 0.31
▸ PIK3CA P42336 3/20 0.31
▸ RET P07949 1/20 0.31
▸ WNT1 P04628 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
SCHEMBL1282918 0.87 ABL1 (0.34) —
SCHEMBL1685280 0.81 RET (0.32) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL1282131 0.79 DGAT1 (0.30) GSK3BDYRK1A
SCHEMBL1283805 0.78 — —
SCHEMBL1282134 0.78 ABL1 (0.35) —
SCHEMBL1282298 0.77 ABL1 (0.37) —
SCHEMBL1282576 0.74 ABL1 (0.37) —
SCHEMBL1282496 0.73 ABL1 (0.40) —
SCHEMBL1282255 0.73 ABL1 (0.37) PIK3CG
SCHEMBL1282961 0.73 AOC3 (0.31) PIK3R1PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 — — WO disclosed
Send feedback