SCHEMBL3707116

SCHEMBL3707116

CC(C)(C)c1nc(CCNC(=O)Nc2nc3ccc(-c4cncc(CO)c4)cc3s2)no1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
PIK3CG P48736 14/20 0.51
PIK3CA P42336 9/20 0.51
ITK Q08881 1/20 0.49
ABL1 P00519 4/20 0.47

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
SCHEMBL13189183 0.91 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAITKABL1
SCHEMBL3710167 0.91 PIK3CG (0.49) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL13188578 0.91 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAITKABL1
SCHEMBL13188713 0.91 PIK3CG (0.49) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL3717589 0.90 PTGES (0.53) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL13188220 0.89 PIK3CG (0.48) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL3711584 0.89 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL13188292 0.88 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL13188400 0.88 PIK3CG (0.67) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL13188210 0.88 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAABL1

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