SCHEMBL4785240

SCHEMBL4785240

OC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.58
MTOR P42345 1/20 0.53
PIK3R1 P27986 1/20 0.47
PIK3CB P42338 3/20 0.46
PIK3CG P48736 3/20 0.46
PIK3CD O00329 1/20 0.46
KMT2A Q03164 1/20 0.44

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
SCHEMBL4782727 1.00 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4783022 0.92 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4884098 0.90 PIK3CA (0.45) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4786254 0.90 PIK3CA (0.47) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4782301 0.89 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4846093 0.89 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4784093 0.89 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CGKMT2A
SCHEMBL4783926 0.89 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL4785845 0.89 HRH4 (0.44) PIK3CAMTORPIK3R1
SCHEMBL14161660 0.89 PIK3CA (0.47) 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 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