SCHEMBL4784700

SCHEMBL4784700

OC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(O)c2)nc(N2CCC(=NO)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.41
MTOR P42345 1/20 0.38
PIK3R1 P27986 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4782797 0.89 PIK3CA (0.42) PIK3CAMTORPIK3R1DRD2DRD1
SCHEMBL4782301 0.87 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4846093 0.87 HRH4 (0.44) PIK3CAMTORPIK3R1ADORA3ADORA1
SCHEMBL4785845 0.87 HRH4 (0.44) PIK3CAMTORPIK3R1ADORA3ADORA1
SCHEMBL4784093 0.87 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CGALDH1A1
SCHEMBL4783926 0.87 HRH4 (0.44) PIK3CAMTORPIK3R1ADORA3ADORA1
SCHEMBL4782727 0.86 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4884098 0.86 PIK3CA (0.45) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4784166 0.86 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL4785240 0.86 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG

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 disclosed
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed