SCHEMBL1083564

SCHEMBL1083564

CC(C)(C)OC(=O)Nc1cccc(CCc2cc(Nc3nc(Cl)ncc3Cl)ccc2N2CCC(N(CC[Si](C)(C)C)C(=O)O)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.36
JAK3 P52333 4/20 0.36
F10 P00742 1/20 0.35
EGFR P00533 5/20 0.35
MET P08581 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
AKT1 P31749 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
RORC P51449 3/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL1083487 0.85 TLR7 (0.37) AKT1RORC
SCHEMBL4365340 0.85 JAK3 (0.39) ALKJAK3F10EGFRSYK
SCHEMBL13623228 0.85 JAK3 (0.39) ALKJAK3F10EGFRMET
SCHEMBL13623215 0.83 JAK3 (0.48) ALKJAK3EGFRJAK2JAK1
SCHEMBL13623218 0.83 JAK3 (0.51) JAK3EGFRJAK2
SCHEMBL1025654 0.82 EGFR (0.42) ALKJAK3EGFRMETSYK
SCHEMBL13622745 0.77 SYK (0.43) JAK3EGFRMETSTK17BSTK17A
SCHEMBL1027969 0.75 EGFR (0.43) JAK3EGFRMETSTK17BSTK17A
SCHEMBL1026903 0.75 STK17B (0.41) EGFRMETSTK17BSTK17ASYK
SCHEMBL1025626 0.75 SYK (0.42) JAK3EGFRMETSTK17BSTK17A

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