SCHEMBL14105656

SCHEMBL14105656

CN1C(=N)N[C@](C)(c2scc(-c3ccc(F)c(N)c3)c2F)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL14105802 0.86 BRD4 (0.36) BRD4BACE1
SCHEMBL7552846 0.86 PLA2G7 (0.38) BACE1
SCHEMBL13081679 0.80 BRD4 (0.36) BRD4
SCHEMBL7541545 0.80 BACE1 (0.44) BRD4CTSDBACE1
SCHEMBL14105260 0.80 TRIM24 (0.35) BRD4BACE1
SCHEMBL13081787 0.80 BRD4 (0.36) BRD4
SCHEMBL13081556 0.79 BRD4 (0.35) BRD4
SCHEMBL14105226 0.79 BRD4 (0.34) BRD4
SCHEMBL4559930 0.78 CYP2A6 (0.33) BRD4BACE1
SCHEMBL14105704 0.78 BRD4 (0.34) BRD4

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-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 WO disclosed