SCHEMBL4784749

SCHEMBL4784749

O=C(C1CCCN(c2nc(-c3cccc(O)c3)nc(N3Cc4ccccc4C[C@@H]3CO)n2)C1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.42
MTOR P42345 4/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CG P48736 3/20 0.38
PIK3CD O00329 2/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
BTK Q06187 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37

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
SCHEMBL4782543 0.94 DGAT2 (0.42) LMNAALDH1A1
SCHEMBL4785892 0.91 PIK3CA (0.47) PIK3CAMTORLMNAPIK3R1PIK3CB
SCHEMBL4786826 0.88 KDM4E (0.43) PIK3CAPIK3CBPIK3CGPIK3CDALDH1A1
SCHEMBL4782727 0.84 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4785240 0.84 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4784742 0.84 PIK3CA (0.42) PIK3CAMTORLMNAGAAPIK3R1
SCHEMBL4785820 0.82 PIK3CA (0.40) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL4786376 0.81 KDM4E (0.45) PIK3CALMNAGAAALDH1A1
SCHEMBL4783022 0.81 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4782401 0.80 PIK3CA (0.39) 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 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