SCHEMBL622124

SCHEMBL622124

CN1C(=O)C(C)(C)[C@@](C)(c2cc(NC(C3CC3)C(F)(F)F)ccc2F)N=C1N

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 20/20 0.61

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
SCHEMBL568768 1.00 BACE2 (0.61) BACE2
SCHEMBL568743 0.87 BACE2 (0.66) BACE2
SCHEMBL568742 0.87 BACE2 (0.66) BACE2
SCHEMBL568590 0.85 BACE2 (0.68) BACE2
SCHEMBL568591 0.85 BACE2 (0.68) BACE2
SCHEMBL568404 0.83 BACE2 (0.59) BACE2
SCHEMBL619719 0.83 BACE2 (0.59) BACE2
SCHEMBL568656 0.81 BACE2 (0.65) BACE2
SCHEMBL568655 0.81 BACE2 (0.65) BACE2
SCHEMBL622822 0.80 BACE2 (0.64) BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603496-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP claimed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO claimed
EP-2603496-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed