SCHEMBL622037

SCHEMBL622037

CN1C(=O)C(C)(C)[C@@](C)(c2cc(NCCc3nc4ccccc4s3)ccc2F)N=C1N

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 20/20 0.55

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
SCHEMBL620195 0.83 BACE2 (0.64) BACE2
SCHEMBL621633 0.83 BACE2 (0.64) BACE2
SCHEMBL569203 0.81 BACE2 (0.57) BACE2
SCHEMBL568771 0.79 BACE2 (0.66) BACE2
SCHEMBL568770 0.79 BACE2 (0.66) BACE2
SCHEMBL568407 0.79 BACE2 (0.71) BACE2
SCHEMBL568408 0.79 BACE2 (0.71) BACE2
SCHEMBL568949 0.77 BACE2 (0.69) BACE2
SCHEMBL568950 0.77 BACE2 (0.69) BACE2
SCHEMBL568509 0.77 BACE2 (0.63) 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