SCHEMBL1023285

SCHEMBL1023285

CC(C)(C)N(C(=O)O)c1cccc(NC(=O)Cc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.40
ANO1 Q5XXA6 1/20 0.40
MET P08581 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
BCL6 P41182 1/20 0.39
BTK Q06187 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SELP P16109 1/20 0.38
SELE P16581 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
SCHEMBL1026953 0.91 GAA (0.47) ALKMETMAPTBCL6BTK
SCHEMBL1026721 0.88 JAK3 (0.42) BCL6
SCHEMBL1026395 0.86 BCL6 (0.40) METBCL6BTK
SCHEMBL1025116 0.85 MET (0.41) ALKMETKMT2ABCL6BTK
SCHEMBL1028227 0.84 MEN1 (0.42) ALKMEN1KMT2AMAPTBTK
SCHEMBL1025086 0.84 BCL6 (0.38) ALKMETMAPTBCL6BTK
SCHEMBL4334439 0.84 KMT2A (0.46) ALKMETMEN1KMT2ALMNA
SCHEMBL1027670 0.83 BCL6 (0.38) ALKMETMAPTBCL6BTK
SCHEMBL1023949 0.82 ALDH1A1 (0.40) BCL6BTKALDH1A1
SCHEMBL13623023 0.82 MET (0.49) ALKANO1METBTK

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