SCHEMBL1026422

SCHEMBL1026422

CC(C)(C)N(C(=O)O)c1cccc(NCCSc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.38
BTK Q06187 3/20 0.37
CTSC P53634 3/20 0.36
MET P08581 6/20 0.36
ALK Q9UM73 4/20 0.36
EGFR P00533 3/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
MAPT P10636 1/20 0.34
JAK1 P23458 1/20 0.34
HDAC1 Q13547 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL1027670 0.88 BCL6 (0.38) BCL6BTKCTSCMETALK
SCHEMBL1028822 0.87 CTSC (0.39) BCL6BTKCTSCMETALK
SCHEMBL1028340 0.86 CTSC (0.42) BCL6BTKCTSCEGFRSTK17B
SCHEMBL1025086 0.85 BCL6 (0.38) BCL6BTKCTSCMETALK
SCHEMBL1026721 0.84 JAK3 (0.42) BCL6CTSCJAK1
SCHEMBL4334815 0.84 EGFR (0.42) BTKCTSCMETALKEGFR
SCHEMBL13623208 0.82 SYK (0.48) BCL6BTKMETALKEGFR
SCHEMBL1028227 0.81 MEN1 (0.42) BTKALKEGFRMAPTJAK1
SCHEMBL1023285 0.80 ALK (0.40) BCL6BTKMETALKMAPT
SCHEMBL1026395 0.79 BCL6 (0.40) BCL6BTKCTSCMETEGFR

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