SCHEMBL14908685

SCHEMBL14908685

CC(C)C[C@H](CN(C(=O)O)C(C)(C)C)Nc1nc(Cl)c(C#N)cc1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
CTSL P07711 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
SCHEMBL14909516 1.00 KHK (0.34) KHKAAK1CTSL
SCHEMBL14911504 1.00 KHK (0.34) KHKAAK1CTSL
SCHEMBL14910361 0.90 KHK (0.37) KHK
SCHEMBL14910363 0.90 KHK (0.37) KHK
SCHEMBL14908690 0.89 KHK (0.34) KHK
SCHEMBL14908691 0.89 KHK (0.34) KHK
SCHEMBL14909161 0.88 KHK (0.34) KHK
SCHEMBL14909162 0.88 KHK (0.34) KHK
SCHEMBL14909545 0.87 KHK (0.33) KHK
SCHEMBL14909546 0.87 KHK (0.33) KHK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed