SCHEMBL7581043

SCHEMBL7581043

C=C1[C@@H](c2ccc(C(C)(C)O)cc2)[C@@](C)(c2cccc(C#N)c2)NC(=N)N1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3B P49841 1/20 0.31
CSNK1G2 P78368 1/20 0.31

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
SCHEMBL7581190 0.91 BACE1 (0.31) BACE1
SCHEMBL7584231 0.90 ELANE (0.33) BACE1
SCHEMBL7582435 0.89 BACE1 (0.34) BACE1
SCHEMBL7584854 0.89 BACE1 (0.30) BACE1
SCHEMBL13054381 0.89 BACE1 (0.35) BACE1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL7547672 0.89 BACE1 (0.35) BACE1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL7582050 0.86
SCHEMBL7584371 0.86 BACE1 (0.31) BACE1
SCHEMBL7584411 0.85 KMT2A (0.32) BACE1
SCHEMBL7584770 0.84 BACE1 (0.32) BACE1

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
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed