SCHEMBL756111

SCHEMBL756111

Nc1ccc2nc(N)c(-c3cccnc3)n2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.43
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
MEN1 O00255 1/20 0.41
PSIP1 O75475 1/20 0.41
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP11B2 P19099 2/20 0.40
CYP11B1 P15538 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL752682 0.81 USP7 (0.50) USP7PIK3CBMEN1AKT1AKT2
SCHEMBL11026812 0.81 USP7 (0.60) USP7ALDH1A1CYP1A2CYP3A4CYP2A6
SCHEMBL7683222 0.73 CDK2 (0.49) USP7AKT1AKT2
SCHEMBL756109 0.72 PIK3CD (0.41) USP7PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14811752 0.71 F12 (0.45) PIK3CGMEN1PSIP1AXLMKNK1
SCHEMBL30218059 0.68 AKT1 (0.51) USP7PIK3CDPIK3R1AKT1AKT2
SCHEMBL1318629 0.68 AKT1 (0.53) USP7PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL12197126 0.67 PIK3CD (0.60) PIK3CDPIK3R1PIK3CBPIK3CGMEN1
SCHEMBL225149 0.66 CYP2A6 (0.68) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL18745788 0.66 CYP2A6 (0.68) MEN1PSIP1AXLMKNK1MKNK2

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
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed