SCHEMBL1832643

SCHEMBL1832643

CC1COCCN1c1nc(-c2ccc(NC(=O)N(I)CC(F)F)cc2)nc2c1CCN(C(=O)C(C)(C)O)C2

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ PIK3CA P42336 3/20 0.59
▸ CYP3A4 P08684 5/20 0.58
▸ RPTOR Q8N122 5/20 0.57
▸ MLST8 Q9BVC4 5/20 0.57

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
SCHEMBL1833833 0.93 MTOR (0.58) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL2097165 0.88 MTOR (0.68) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL1841495 0.88 MTOR (0.68) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL1830614 0.88 MTOR (0.79) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL1830616 0.88 MTOR (0.79) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL1832549 0.88 MTOR (0.79) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL1837747 0.85 MTOR (0.67) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL2097506 0.85 MTOR (0.67) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL2097811 0.83 MTOR (0.62) MTORKCNH2PIK3CACYP3A4RPTOR
SCHEMBL2097810 0.83 MTOR (0.62) MTORKCNH2PIK3CACYP3A4RPTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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