SCHEMBL620903

SCHEMBL620903

CCN(c1ccc(F)c([C@@]2(C)N=C(N)N(C)C(=O)C2(C)C)c1)c1nc(C)oc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 20/20 0.49

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
SCHEMBL621632 0.81 BACE2 (0.54) BACE2
SCHEMBL620194 0.81 BACE2 (0.54) BACE2
SCHEMBL620171 0.79 BACE2 (0.51) BACE2
SCHEMBL620904 0.78 BACE2 (0.57) BACE2
SCHEMBL619785 0.78 BACE2 (0.52) BACE2
SCHEMBL620190 0.78 BACE2 (0.51) BACE2
SCHEMBL569120 0.76 BACE2 (0.57) BACE2
SCHEMBL569121 0.76 BACE2 (0.57) BACE2
SCHEMBL620864 0.76 BACE2 (0.56) BACE2
SCHEMBL620787 0.76 BACE2 (0.55) 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 2 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 disclosed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed