SCHEMBL4781444

SCHEMBL4781444

OCCOc1nc(-c2cccc(O)c2)nc(N2Cc3ccccc3C[C@@H]2CO)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PDE5A O76074 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
XBP1 P17861 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTOR P42345 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
SCHEMBL14161861 0.89 LMNA (0.37) PIK3CAPIK3R1PIK3CBPIK3CGPRMT5
SCHEMBL4785206 0.88 KDR (0.42) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4786681 0.85 POLB (0.40) PIK3CAPIK3R1PRMT5WDR77MEN1
SCHEMBL4785152 0.83 PIK3CA (0.37) PIK3CAPDE5AMEN1LMNACYP1A2
SCHEMBL4785290 0.83 PIK3CA (0.37) PIK3CAPDE5AMEN1LMNACYP1A2
SCHEMBL14161656 0.83 PIK3CA (0.40) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4785757 0.83 PIK3CA (0.36) PIK3CAPIK3R1MTORCHEK1JAK2
SCHEMBL14161674 0.82 PIK3CA (0.35) PIK3CAPIK3R1PRMT5WDR77CHEK1
SCHEMBL14161859 0.82 PIK3CA (0.38) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4784163 0.82 PIK3CA (0.35) PIK3CAPIK3R1PRMT5WDR77CHEK1

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 3 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
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed