SCHEMBL4848936

SCHEMBL4848936

CC(=O)N1CCN(c2nc(-c3cccc(O)c3)nc(N3CCc4ccccc4C3CO)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.47
MTOR P42345 2/20 0.39
PIK3R1 P27986 2/20 0.38
ABCB1 P08183 1/20 0.37
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4783923 0.90 HRH4 (0.43) PIK3CAMTOR
SCHEMBL4782297 0.88 PIK3CA (0.43) PIK3CAMTORPIK3R1
SCHEMBL4782788 0.87 PIK3CA (0.42) PIK3CAMTORPIK3R1ALDH1A1MAPT
SCHEMBL4784640 0.86 ADORA3 (0.43) PIK3CAMTOR
SCHEMBL4781393 0.86 PIK3CA (0.41) PIK3CAMTORPIK3R1ALDH1A1HPGD
SCHEMBL4784088 0.86 PIK3CA (0.43) PIK3CAMTORPIK3R1ALDH1A1HPGD
SCHEMBL4784015 0.85 HTR2A (0.44) PIK3CAMTORALDH1A1MAPTTSHR
SCHEMBL4782724 0.85 PIK3CA (0.57) PIK3CAMTORPIK3R1
SCHEMBL4884094 0.85 PIK3CA (0.44) PIK3CAMTORPIK3R1
SCHEMBL4784160 0.85 PIK3CA (0.42) PIK3CAMTORPIK3R1

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 1 patent. 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