SCHEMBL1832549

SCHEMBL1832549

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C(=O)C(C)(C)O)C3)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.79
▸ KCNH2 Q12809 1/20 0.79
▸ PIK3CA P42336 3/20 0.77
▸ RPTOR Q8N122 5/20 0.74
▸ MLST8 Q9BVC4 5/20 0.74
▸ CYP3A4 P08684 5/20 0.74

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
SCHEMBL1830614 1.00 MTOR (0.79) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1830616 1.00 MTOR (0.79) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1831170 0.95 MTOR (0.84) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1832428 0.95 MTOR (0.84) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL411904 0.95 MTOR (0.78) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL446151 0.95 MTOR (0.78) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1831597 0.93 MTOR (0.76) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1831595 0.93 MTOR (0.76) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL2097165 0.92 MTOR (0.68) MTORKCNH2PIK3CARPTORMLST8
SCHEMBL1841495 0.92 MTOR (0.68) MTORKCNH2PIK3CARPTORMLST8

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
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