SCHEMBL4884098

SCHEMBL4884098

OC[C@H]1Cc2ccccc2CN1c1nc(-c2cccc(O)c2)nc(N2CCC(F)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.45
MTOR P42345 3/20 0.42
PIK3R1 P27986 1/20 0.37
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3CD O00329 1/20 0.35

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
SCHEMBL4784954 0.93 PIK3CA (0.44) PIK3CAMTORPIK3R1
SCHEMBL4784166 0.92 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL4782727 0.90 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4785240 0.90 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4784076 0.90 PIK3CA (0.41) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL4785561 0.90 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4785092 0.90 PIK3CA (0.41) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL4785311 0.90 PIK3CA (0.41) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL4784491 0.90 PIK3CA (0.41) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL4846093 0.89 HRH4 (0.44) PIK3CAMTORPIK3R1

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 1 patent. 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