SCHEMBL1680101

SCHEMBL1680101

FC(F)C1(c2nc(N3CCOCC3)nc3[nH]nc(C4CCOCC4)c23)N=c2ccccc2=N1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PIK3CA P42336 6/20 0.35
MTOR P42345 4/20 0.35
PIK3CB P42338 8/20 0.34
PIK3CD O00329 3/20 0.34
PIK3CG P48736 3/20 0.34
PIK3R1 P27986 2/20 0.34
HTT P42858 2/20 0.34
PIK3C2B O00750 1/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.33
MAP3K12 Q12852 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL1359678 0.81 LMNA (0.37) LMNAALDH1A1PIK3CAMTORPIK3CB
SCHEMBL1680071 0.74 PIK3CA (0.42) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL1681397 0.71 PIK3CA (0.39) LMNAALDH1A1PIK3CAMTORPIK3CB
SCHEMBL2565055 0.68 PIK3CA (0.51) LMNAALDH1A1PIK3CAMTORPIK3CB
Hydrochloric Acid SCHEMBL2565069 0.67 PIK3CA (0.50) LMNAALDH1A1PIK3CAMTORPIK3CB
SCHEMBL1680093 0.64 PIK3CA (0.41) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL2567788 0.64 MTOR (0.49) ALDH1A1PIK3CAMTORPIK3CGPIK3R1
SCHEMBL2597501 0.64 MTOR (0.62) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL2571185 0.64 PIK3CA (0.53) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL3051889 0.64 PIK3CA (0.51) PIK3CAMTORPIK3CBPIK3CDPIK3R1

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-2483272-A2 PI3K (DELTA) SELECTIVE INHIBITORS Xcovery Holding Company LLC (US) 2012-08-08 EP disclosed
WO-2011041399-A2 PI3K (DELTA) SELECTIVE INHIBITORS TYROGENEX, INC. (US) 2011-04-07 WO disclosed