SCHEMBL1028822

SCHEMBL1028822

CC(C)(C)N(C(=O)O)c1cccc(SCCOc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.39
BTK Q06187 7/20 0.38
KDR P35968 1/20 0.37
BCL6 P41182 1/20 0.37
EGFR P00533 6/20 0.36
BRD4 O60885 1/20 0.36
SYK P43405 2/20 0.36
JAK3 P52333 2/20 0.35
ITK Q08881 2/20 0.35
MET P08581 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL1027670 0.88 BCL6 (0.38) CTSCBTKBCL6EGFRJAK3
SCHEMBL1028340 0.87 CTSC (0.42) CTSCBTKBCL6EGFRBRD4
SCHEMBL1026422 0.87 BCL6 (0.38) CTSCBTKBCL6EGFRMET
SCHEMBL1025086 0.86 BCL6 (0.38) CTSCBTKBCL6EGFRJAK3
SCHEMBL1025568 0.85 CTSC (0.42) CTSCBTKEGFRSYKJAK3
SCHEMBL13623112 0.84 EGFR (0.46) CTSCBTKBCL6EGFRBRD4
SCHEMBL1026395 0.79 BCL6 (0.40) CTSCBTKBCL6EGFRJAK3
SCHEMBL1026332 0.78 BCL6 (0.41) CTSCKDRBCL6EGFRBRD4
SCHEMBL1026721 0.78 JAK3 (0.42) CTSCBCL6JAK3
SCHEMBL1025784 0.77 TSHR (0.40)

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