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SCHEMBL1836267

SCHEMBL1836267

CC(=O)N1CCc2c(nc(-c3ccc(Nc4cccc(OCc5ccccc5)n4)cc3)nc2N2CCOC[C@@H]2C)C1.C[C@H]1COCCN1c1nc(-c2ccc(Nc3cccc(OCc4ccccc4)n3)cc2)nc2c1CCNC2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 0.52
▸ ATR Q13535 1/20 0.49
▸ RPTOR Q8N122 5/20 0.48
▸ MLST8 Q9BVC4 5/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ PIK3CA P42336 1/20 0.47

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
SCHEMBL2100335 0.94 MTOR (0.57) MTORATRRPTORMLST8CYP3A4
SCHEMBL1832171 0.94 MTOR (0.57) MTORATRRPTORMLST8CYP3A4
SCHEMBL1831759 0.92 MTOR (0.46) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1831757 0.92 MTOR (0.46) MTORRPTORMLST8CYP3A4KCNH2
Hydrochloric Acid SCHEMBL1832342 0.91 MTOR (0.46) MTORRPTORMLST8CYP3A4KCNH2
Hydrochloric Acid SCHEMBL1832345 0.91 MTOR (0.46) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL3221933 0.91 MTOR (0.54) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1838678 0.88 MTOR (0.51) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1838680 0.88 MTOR (0.51) MTORRPTORMLST8CYP3A4KCNH2
SCHEMBL1830612 0.88 MTOR (0.51) MTORATRRPTORMLST8CYP3A4

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
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 — — EP disclosed