Sugi Predict

Sugi Predict / Compounds / SCHEMBL1979804

SCHEMBL1979804

SCHEMBL1979804

C[C@]1(c2cc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)ccc2F)OC(N)=NCC1(F)F

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.66
▸ BACE2 Q9Y5Z0 11/20 0.66
▸ APP P05067 2/20 0.54
▸ CYP2D6 P10635 2/20 0.53

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
SCHEMBL1980007 0.87 BACE1 (0.68) BACE1BACE2APPCYP2D6
Hydrochloric Acid SCHEMBL1981515 0.86 BACE1 (0.67) BACE1BACE2APPCYP2D6
SCHEMBL1979193 0.84 BACE1 (0.52) BACE1BACE2CYP2D6
SCHEMBL1976068 0.82 BACE1 (0.83) BACE1BACE2APP
SCHEMBL1981723 0.82 BACE1 (0.58) BACE1BACE2
SCHEMBL1973409 0.81 BACE1 (0.69) BACE1BACE2APPCYP2D6
Hydrochloric Acid SCHEMBL1973950 0.80 BACE1 (0.68) BACE1BACE2APPCYP2D6
SCHEMBL1979162 0.80 BACE1 (0.59) BACE1BACE2
SCHEMBL13193630 0.80 BACE1 (1.00) BACE1BACE2
SCHEMBL13193874 0.80 BACE1 (1.00) BACE1BACE2

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
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — WO claimed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — WO disclosed