SCHEMBL16120980

SCHEMBL16120980

CC1(C)CC(Nc2nc(Nc3ccc(OC4CCCCC4)c(C#N)c3)ncc2F)CC2CCCN21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 8/20 0.42
▸ EGFR P00533 7/20 0.41
▸ BCL6 P41182 1/20 0.40
▸ CSNK2A2 P19784 3/20 0.40
▸ CSNK2A1 P68400 3/20 0.40
▸ JAK2 O60674 2/20 0.38
▸ BTK Q06187 2/20 0.38
▸ ITK Q08881 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38

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
SCHEMBL15320846 0.94 TBK1 (0.48) TBK1EGFRJAK2
SCHEMBL15321086 0.94 TBK1 (0.42) TBK1EGFRCSNK2A2CSNK2A1JAK2
SCHEMBL15321087 0.94 TBK1 (0.42) TBK1EGFRCSNK2A2CSNK2A1JAK2
SCHEMBL15320389 0.94 TBK1 (0.42) TBK1EGFRCSNK2A2CSNK2A1JAK2
SCHEMBL15321782 0.92 EGFR (0.48) TBK1EGFRJAK2ITK
SCHEMBL15321372 0.92 EGFR (0.48) TBK1EGFRJAK2ITK
SCHEMBL15321376 0.92 EGFR (0.48) TBK1EGFRJAK2ITK
SCHEMBL15320723 0.88 EGFR (0.53) EGFRBTKITK
SCHEMBL19527674 0.88 EGFR (0.46) EGFRBCL6BTKITKPRKCQ
SCHEMBL15320611 0.88 EGFR (0.46) EGFRBCL6BTKITKPRKCQ

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-2014151900-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2014-09-25 — — WO disclosed
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