Sugi Predict

Sugi Predict / Compounds / SCHEMBL991255

SCHEMBL991255

SCHEMBL991255

CN1C(=O)[C@@H]2[C@@H](C(F)(F)F)OC[C@]2(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)N=C1N(C(=O)O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.54
▸ BACE2 Q9Y5Z0 9/20 0.51

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
SCHEMBL8514497 0.88 BACE1 (0.56) BACE1BACE2
SCHEMBL990462 0.88 BACE1 (0.61) BACE1BACE2
SCHEMBL6921600 0.85 BACE1 (0.53) BACE1BACE2
SCHEMBL990541 0.83 BACE1 (0.51) BACE1BACE2
SCHEMBL8515016 0.83 BACE1 (0.55) BACE1BACE2
SCHEMBL11913719 0.83 BACE1 (0.55) BACE1BACE2
SCHEMBL11913736 0.82 BACE1 (0.60) BACE1BACE2
SCHEMBL990549 0.82 BACE1 (0.57) BACE1BACE2
SCHEMBL11900491 0.82 BACE1 (0.54) BACE1BACE2
SCHEMBL990542 0.82 BACE1 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011009897-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 — — WO disclosed