SCHEMBL1028573

SCHEMBL1028573

CC(C)(C)OC(=O)Nc1ccc(Nc2nc(Cl)ncc2Cl)cc1CCc1cncc(N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
BCL6 P41182 1/20 0.36
P2RX3 P56373 3/20 0.34
SYK P43405 2/20 0.34
MAPK3 P27361 3/20 0.33
MET P08581 1/20 0.33
CDK1 P06493 1/20 0.33
ALK Q9UM73 2/20 0.32
EGFR P00533 3/20 0.32
AURKB Q96GD4 1/20 0.32
SRC P12931 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
BTK Q06187 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL1023940 0.93 P2RX3 (0.35) STK17BSTK17AP2RX3SYKCDK1
SCHEMBL1027538 0.93 SYK (0.41) STK17BSTK17AP2RX3SYKCDK1
SCHEMBL1025607 0.91 STK17B (0.39) STK17BSTK17ABCL6P2RX3SYK
SCHEMBL2523025 0.89 STK17B (0.42) STK17BSTK17AMAPK3
SCHEMBL13622748 0.88 STK17B (0.43) STK17BSTK17ABCL6P2RX3SYK
SCHEMBL4340593 0.88 STK17B (0.41) STK17BSTK17ABCL6P2RX3SYK
SCHEMBL1024066 0.84 EGFR (0.37) STK17BSTK17AP2RX3SYKCDK1
SCHEMBL1027536 0.84 SYK (0.44) P2RX3SYKMETCDK1EGFR
SCHEMBL13622745 0.82 SYK (0.43) STK17BSTK17ABCL6SYKMET
SCHEMBL1024947 0.81 P2RX3 (0.37) STK17BSTK17AP2RX3SYKCDK1

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