SCHEMBL13188752

SCHEMBL13188752

COc1cncc(-c2ccc3nc(NC(=O)NCCNC(=O)OC(C)(C)C)sc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.53
PIK3CA P42336 10/20 0.53
DYRK1A Q13627 1/20 0.46
ABL1 P00519 2/20 0.46

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
SCHEMBL13188946 0.85 PIK3CG (0.74) PIK3CGPIK3CAABL1
SCHEMBL13188161 0.83 PIK3CG (0.51) PIK3CGPIK3CAABL1
SCHEMBL13189027 0.82 PIK3CG (0.50) PIK3CGPIK3CADYRK1AABL1
SCHEMBL3782341 0.80 PIK3CG (0.56) PIK3CGPIK3CADYRK1AABL1
SCHEMBL13188923 0.80 PIK3CG (0.49) PIK3CGPIK3CADYRK1AABL1
SCHEMBL13188913 0.80 KDM4E (0.39) PIK3CGPIK3CADYRK1AABL1
SCHEMBL3713632 0.80 PIK3CG (0.49) PIK3CGPIK3CADYRK1AABL1
SCHEMBL12543666 0.78 PIK3CG (0.48) PIK3CGABL1
SCHEMBL13189215 0.77 KMT2A (0.53) PIK3CGPIK3CAABL1
SCHEMBL12543196 0.77 PIK3CG (0.48) PIK3CGPIK3CADYRK1AABL1

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-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed