SCHEMBL3708403

SCHEMBL3708403

CC(C)(C)c1nc(CCNC(=O)Nc2nc3ccc(-c4cncc(S(C)(=O)=O)c4)nc3s2)no1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
PIK3CG P48736 13/20 0.36
PIK3CA P42336 12/20 0.36
DYRK1A Q13627 1/20 0.36
PIK3CD O00329 5/20 0.35
PIK3CB P42338 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13188684 0.93 PIK3CG (0.36) ABL1PIK3CGPIK3CADYRK1APIK3CD
SCHEMBL13188683 0.93 PIK3CG (0.36) ABL1PIK3CGPIK3CADYRK1APIK3CD
SCHEMBL3711298 0.90 DYRK1A (0.43) ABL1PIK3CGPIK3CADYRK1APIK3CD
SCHEMBL13188928 0.88 DYRK1A (0.40) ABL1PIK3CGPIK3CADYRK1APIK3CD
SCHEMBL13188288 0.87 PIK3CG (0.50) ABL1PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL13189027 0.87 PIK3CG (0.50) ABL1PIK3CGPIK3CADYRK1A
SCHEMBL13188931 0.87 PIK3CG (0.38) ABL1PIK3CGPIK3CADYRK1APIK3CD
SCHEMBL13188177 0.86 ABL1 (0.41) ABL1PIK3CGPIK3CADYRK1A
SCHEMBL13188581 0.85 PIK3CG (0.44) ABL1PIK3CGPIK3CA
SCHEMBL13188532 0.83 DYRK1A (0.41) ABL1PIK3CGPIK3CADYRK1APIK3CD

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