SCHEMBL3714896

SCHEMBL3714896

CC(C)(C)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)cc3s2)no1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.58
PIK3CA P42336 9/20 0.58
ABL1 P00519 5/20 0.51
PIK3CD O00329 1/20 0.49
ITK Q08881 2/20 0.48
LCK P06239 1/20 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
SCHEMBL13188940 0.93 PIK3CG (0.55) PIK3CGPIK3CAABL1PIK3CDITK
SCHEMBL13188338 0.92 PIK3CG (0.54) PIK3CGPIK3CAABL1PIK3CDITK
SCHEMBL13188347 0.89 ABL1 (0.51) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL13188611 0.88 ABL1 (0.47) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL3707116 0.87 PIK3CD (0.51) PIK3CGPIK3CAABL1PIK3CDITK
SCHEMBL3711584 0.87 PIK3CD (0.51) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL13188219 0.87 PIK3CG (0.58) PIK3CGPIK3CAABL1PIK3CDITK
SCHEMBL3717589 0.87 PTGES (0.53) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL13188210 0.86 PIK3CD (0.51) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL13188400 0.86 PIK3CG (0.67) PIK3CGPIK3CAABL1PIK3CD

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