SCHEMBL1830637

SCHEMBL1830637

C=CC[C@@H]1NCCc2c1nc(-c1ccc(NC(=O)NCC)cc1)nc2N1CCOC[C@@H]1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.61
RPTOR Q8N122 6/20 0.61
MLST8 Q9BVC4 6/20 0.61
PIK3CA P42336 3/20 0.61
CYP3A4 P08684 2/20 0.61
KCNH2 Q12809 2/20 0.60
RICTOR Q6R327 1/20 0.60
MAPKAP1 Q9BPZ7 1/20 0.60

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
SCHEMBL2099573 1.00 MTOR (0.61) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL1830061 1.00 MTOR (0.61) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL1831321 1.00 MTOR (0.61) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL2632679 0.89 MTOR (0.61) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL1828427 0.89 MTOR (0.62) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL1831427 0.89 MTOR (0.62) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL1831994 0.89 MTOR (0.62) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL2098038 0.89 MTOR (0.62) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL1834127 0.89 MTOR (0.67) MTORRPTORMLST8PIK3CACYP3A4
SCHEMBL1829924 0.89 MTOR (0.67) MTORRPTORMLST8PIK3CACYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP claimed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US claimed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 EP disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed