SCHEMBL1083554

SCHEMBL1083554

CC(C)Nc1c(C#N)nn(C(C)C)c1N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
LRRK2 Q5S007 1/20 0.31
CTSK P43235 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
SCHEMBL693256 0.77 MTOR (0.32)
SCHEMBL1072167 0.77 F2 (0.33) F2LMNAMAPK1HTTCTSK
SCHEMBL20647147 0.65 TSHR (0.44) LMNAHTTLRRK2
SCHEMBL15723691 0.61 L3MBTL1 (0.34) LMNAMAPK1HTT
SCHEMBL5557928 0.60 MAPT (0.31)
SCHEMBL20121338 0.59 TOP2A (0.33)
SCHEMBL5276629 0.58 MAPT (0.30)
SCHEMBL17008796 0.58 HTT (0.38) F2LMNAMAPK1HTTLRRK2
SCHEMBL19221422 0.58 F2 (0.34) F2LMNAMAPK1HTTCTSK
SCHEMBL15652724 0.57 ADORA2A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP claimed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO claimed
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed