SCHEMBL4848943

SCHEMBL4848943

CC(=O)N1CCN(c2nc(-c3cccc(O)c3)nc(N3Cc4ccccc4C[C@@H]3CO)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.47
MTOR P42345 2/20 0.40
PIK3R1 P27986 3/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
NCF1 P14598 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
SCHEMBL4785845 0.90 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4846093 0.90 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4783926 0.90 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4782301 0.88 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4784653 0.86 ADORA3 (0.43) PIK3CAMTORPIK3CG
SCHEMBL4781396 0.86 PIK3CA (0.41) PIK3CAMTORPIK3R1ALDH1A1HPGD
SCHEMBL4782797 0.86 PIK3CA (0.42) PIK3CAMTORPIK3R1ALDH1A1MAPT
SCHEMBL4784093 0.86 PIK3CA (0.43) PIK3CAMTORPIK3R1ALDH1A1HPGD
SCHEMBL4784017 0.85 HTR2A (0.44) PIK3CAMTORALDH1A1MAPTTSHR
SCHEMBL14161649 0.85 PIK3CA (0.41) PIK3CAMTORPIK3R1ALDH1A1MAPT

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