SCHEMBL4785892

SCHEMBL4785892

O=C(C1CCN(c2nc(-c3cccc(O)c3)nc(N3Cc4ccccc4C[C@@H]3CO)n2)CC1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.47
MTOR P42345 4/20 0.43
PIK3R1 P27986 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.40

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
SCHEMBL4784749 0.91 PIK3CA (0.42) PIK3CAMTORPIK3R1ALDH1A1LMNA
SCHEMBL4785240 0.89 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL4782727 0.89 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL4783022 0.87 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4884098 0.85 PIK3CA (0.45) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL4786376 0.84 KDM4E (0.45) PIK3CAKDM4EALDH1A1LMNAHPGD
SCHEMBL4782543 0.84 DGAT2 (0.42) ALDH1A1LMNAMAPTHSD17B10
SCHEMBL4784166 0.84 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL4786254 0.83 PIK3CA (0.47) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL4785891 0.83 PIK3CA (0.46) PIK3CAMTORPIK3R1KDM4EALDH1A1

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 claimed