SCHEMBL4783015

SCHEMBL4783015

OCC1c2ccccc2CCN1c1nc(-c2cccc(O)c2)nc(N2CCC(N3CCOCC3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.48
MTOR P42345 8/20 0.45
PIK3CG P48736 4/20 0.40
PIK3R1 P27986 1/20 0.40

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
SCHEMBL4786261 0.93 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL4782724 0.92 PIK3CA (0.57) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL4785905 0.89 ESR1 (0.44) PIK3CAMTORPIK3CG
SCHEMBL4884094 0.89 PIK3CA (0.44) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL4783216 0.88 ESR1 (0.45) PIK3CAMTORPIK3CG
SCHEMBL4785891 0.87 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL4784160 0.87 PIK3CA (0.42) PIK3CAMTORPIK3R1
SCHEMBL4784132 0.86 PIK3CA (0.44) PIK3CAMTORPIK3R1
SCHEMBL4785307 0.84 PIK3CA (0.40) PIK3CAMTORPIK3CGPIK3R1
SCHEMBL4785552 0.84 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3R1

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