SCHEMBL1075792

SCHEMBL1075792

CC(C)(C)C(Oc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.49
JAK2 O60674 9/20 0.47
JAK1 P23458 9/20 0.47
JAK3 P52333 9/20 0.47
TYK2 P29597 8/20 0.47
STK4 Q13043 2/20 0.34
STK3 Q13188 2/20 0.34
STK26 Q9P289 2/20 0.34
STK24 Q9Y6E0 2/20 0.34

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
SCHEMBL1075045 0.83 ALK (0.61) ALKJAK2JAK1JAK3TYK2
SCHEMBL4357882 0.82 ALK (0.57) ALKJAK2JAK1JAK3TYK2
SCHEMBL13623317 0.82 ALK (0.53) ALKJAK2JAK1JAK3TYK2
Hydrochloric Acid SCHEMBL4355865 0.81 ALK (0.56) ALKJAK2JAK1JAK3TYK2
SCHEMBL1075435 0.79 JAK2 (0.45) ALKJAK2JAK1JAK3TYK2
SCHEMBL1076209 0.78 JAK2 (0.52) ALKJAK2JAK1JAK3TYK2
SCHEMBL4360558 0.77 ALK (0.52) ALKJAK2JAK1JAK3TYK2
SCHEMBL4361234 0.77 ALK (0.55) ALKJAK2JAK1JAK3TYK2
SCHEMBL1075467 0.77 JAK2 (0.53) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL1072466 0.76 JAK2 (0.66) ALKJAK2JAK1JAK3TYK2

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 2 patents. 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
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed