SCHEMBL1075692

SCHEMBL1075692

CC(C)(C)N(CCNC(=O)Nc1ccc2cc1CCc1cccc(c1)Nc1ncc(Cl)c(n1)N2)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.50
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
STK26 Q9P289 1/20 0.40
STK24 Q9Y6E0 1/20 0.40
JAK2 O60674 12/20 0.40
JAK1 P23458 12/20 0.40
JAK3 P52333 12/20 0.40
TYK2 P29597 11/20 0.40

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
SCHEMBL1076343 0.87 ALK (0.54) ALKSTK4STK3STK26STK24
SCHEMBL1074508 0.86 ALK (0.56) ALKSTK4STK3STK26STK24
SCHEMBL1073607 0.86 ALK (0.55) ALKSTK4STK3STK26STK24
SCHEMBL13622883 0.86 ALK (0.54) ALKSTK4STK3STK26STK24
SCHEMBL13622884 0.85 ALK (0.54) ALKSTK4STK3STK26STK24
SCHEMBL4360155 0.85 ALK (0.58) ALKSTK4STK3STK26STK24
SCHEMBL1074423 0.85 ALK (0.55) ALKSTK4STK3STK26STK24
SCHEMBL1075412 0.85 ALK (0.52) ALKSTK4STK3STK26STK24
Hydrochloric Acid SCHEMBL1074826 0.84 ALK (0.53) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL1075661 0.84 ALK (0.51) ALKSTK4STK3STK26STK24

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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed