SCHEMBL1026953

SCHEMBL1026953

CC(C)(C)N(C(=O)O)c1cccc(NC(=O)CCc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
MET P08581 7/20 0.41
ALK Q9UM73 6/20 0.41
MAPT P10636 1/20 0.41
CDK8 P49336 2/20 0.40
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
BCL6 P41182 1/20 0.38
BTK Q06187 2/20 0.38
HPGD P15428 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
SCHEMBL1023285 0.91 ALK (0.40) ALDH1A1METALKMAPTBCL6
SCHEMBL1026721 0.87 JAK3 (0.42) BCL6
SCHEMBL1027670 0.85 BCL6 (0.38) ALDH1A1METALKMAPTBCL6
SCHEMBL1026395 0.85 BCL6 (0.40) METBCL6BTK
SCHEMBL1023949 0.84 ALDH1A1 (0.40) GAAALDH1A1BCL6BTK
SCHEMBL1027584 0.84 MAPT (0.51) GAAALDH1A1ALOX15METALK
SCHEMBL1025116 0.84 MET (0.41) ALDH1A1METALKBCL6BTK
SCHEMBL1028227 0.83 MEN1 (0.42) ALKMAPTRAB9ABTK
SCHEMBL1025086 0.83 BCL6 (0.38) ALDH1A1METALKMAPTBCL6
SCHEMBL13623203 0.82 MET (0.48) GAAMETALKMAPTCDK8

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