SCHEMBL4785203

SCHEMBL4785203

OCC1c2ccccc2CCN1c1nc(OCCN2CCOCC2)nc(-c2cccc(O)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
PIK3CA P42336 14/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CD O00329 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
SCHEMBL4781438 0.89 ESR1 (0.37) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4786674 0.84 POLB (0.40) KDRPIK3CAPIK3R1
SCHEMBL4784449 0.84 PIK3CA (0.49) PIK3CAPIK3CBPIK3CGMTORPIK3CD
SCHEMBL4782724 0.83 PIK3CA (0.57) PIK3CAPIK3R1PIK3CBPIK3CGMTOR
SCHEMBL4785206 0.83 KDR (0.42) KDRPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL4785750 0.80 PIK3CA (0.36) PIK3CAPIK3R1
SCHEMBL4784015 0.78 HTR2A (0.44) PIK3CAKDM4EMTOR
SCHEMBL4783015 0.78 PIK3CA (0.48) PIK3CAPIK3R1PIK3CGMTOR
SCHEMBL4785148 0.78 ESR1 (0.42) PIK3CAMTOR
SCHEMBL4783923 0.77 HRH4 (0.43) PIK3CAMTOR

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