SCHEMBL4784491

SCHEMBL4784491

N[C@@H]1CCN(c2nc(-c3cccc(O)c3)nc(N3Cc4ccccc4C[C@@H]3CO)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.41
MTOR P42345 4/20 0.36
NAMPT P43490 1/20 0.34
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PIK3CG P48736 3/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL4784076 1.00 PIK3CA (0.41) PIK3CAMTORNAMPTIRAK1IRAK4
SCHEMBL4785092 1.00 PIK3CA (0.41) PIK3CAMTORNAMPTIRAK1IRAK4
SCHEMBL4785820 0.95 PIK3CA (0.40) PIK3CAMTORPIK3CGPIK3CB
SCHEMBL4784954 0.94 PIK3CA (0.44) PIK3CAMTORSSTR2SSTR4HRH4
SCHEMBL4781287 0.90 PIK3CA (0.39) PIK3CAMTORIRAK1IRAK4
SCHEMBL4782401 0.90 PIK3CA (0.39) PIK3CAMTORIRAK1IRAK4
SCHEMBL4884098 0.90 PIK3CA (0.45) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL4784166 0.88 PIK3CA (0.43) PIK3CAMTORPIK3CG
SCHEMBL4785561 0.87 PIK3CA (0.43) PIK3CAMTORPIK3CGPIK3CBHRH4
SCHEMBL4785311 0.85 PIK3CA (0.41) PIK3CAMTORIRAK4PIK3CG

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-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO claimed
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed