SCHEMBL4784166

SCHEMBL4784166

OCC1CCN(c2nc(-c3cccc(O)c3)nc(N3Cc4ccccc4C[C@@H]3CO)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.43
MTOR P42345 5/20 0.40
HIF1A Q16665 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CG P48736 1/20 0.34
MAP2K7 O14733 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
SCHEMBL4785561 0.93 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL4785311 0.93 PIK3CA (0.41) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL4884098 0.92 PIK3CA (0.45) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL4784954 0.91 PIK3CA (0.44) PIK3CAMTORPIK3R1
SCHEMBL4846093 0.89 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4783926 0.89 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4785845 0.89 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4784093 0.89 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL4782301 0.89 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL4782401 0.89 PIK3CA (0.39) PIK3CAMTOR

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