SCHEMBL4784926

SCHEMBL4784926

COc1cc(-c2nc(N3CCOCC3)nc(N3Cc4ccccc4C[C@H]3CO)n2)cc(OC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.48
▸ PIK3CA P42336 5/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AGER Q15109 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL14161661 1.00 MTOR (0.48) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL14161665 0.93 LMNA (0.42) MTORPIK3CAPIK3CGPIK3CBKDM4E
SCHEMBL4785193 0.88 MTOR (0.43) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL14161775 0.88 MTOR (0.43) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL14161660 0.84 PIK3CA (0.47) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL4782727 0.83 PIK3CA (0.58) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL4785240 0.83 PIK3CA (0.58) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL4784922 0.81 MTOR (0.48) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL14161658 0.80 MTOR (0.46) MTORPIK3CAPIK3CGPIK3CB
SCHEMBL14161858 0.80 MAPT (0.46) MTORPIK3CAPIK3CGPIK3CDPIK3CB

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
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