SCHEMBL4785206

SCHEMBL4785206

OC[C@H]1Cc2ccccc2CN1c1nc(OCCN2CCOCC2)nc(-c2cccc(O)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
PIK3CA P42336 13/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CD O00329 1/20 0.38
BCL2 P10415 1/20 0.38

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
SCHEMBL4781444 0.88 PIK3CA (0.35) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4784452 0.83 PIK3CA (0.50) PIK3CAPIK3CBPIK3CGMTORPIK3CD
SCHEMBL4782727 0.83 PIK3CA (0.58) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4785240 0.83 PIK3CA (0.58) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4786681 0.83 POLB (0.40) PIK3CAPIK3R1
SCHEMBL14161656 0.83 PIK3CA (0.40) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4785203 0.83 KDR (0.42) KDRPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL14161861 0.81 LMNA (0.37) PIK3CAPIK3R1PIK3CBPIK3CGKDM4E
SCHEMBL14161859 0.80 PIK3CA (0.38) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4785757 0.79 PIK3CA (0.36) PIK3CAPIK3R1MTOR

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