SCHEMBL4782797

SCHEMBL4782797

O=C1CCN(c2nc(-c3cccc(O)c3)nc(N3Cc4ccccc4C[C@@H]3CO)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.42
MTOR P42345 2/20 0.39
PIK3R1 P27986 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 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
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PIK3CD O00329 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
SCHEMBL4784700 0.89 PIK3CA (0.41) PIK3CAMTORPIK3R1ALDH1A1HPGD
SCHEMBL4784093 0.88 PIK3CA (0.43) PIK3CAMTORPIK3R1ALDH1A1HPGD
SCHEMBL4783926 0.88 HRH4 (0.44) PIK3CAMTORPIK3R1SMN1; SMN2
SCHEMBL4846093 0.88 HRH4 (0.44) PIK3CAMTORPIK3R1SMN1; SMN2
SCHEMBL4785845 0.88 HRH4 (0.44) PIK3CAMTORPIK3R1SMN1; SMN2
SCHEMBL4782301 0.88 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL14161649 0.88 PIK3CA (0.41) PIK3CAMTORPIK3R1ALDH1A1HPGD
SCHEMBL4782727 0.87 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4785240 0.87 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4784166 0.87 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CG

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