SCHEMBL884724

SCHEMBL884724

CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCC(OCNCC(F)F)CC3)ncc1Cl

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 6/20 0.62
NEK2 P51955 1/20 0.53
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
ALK Q9UM73 14/20 0.48
INSR P06213 7/20 0.48
IGF1R P08069 1/20 0.47
KCNH2 Q12809 2/20 0.46
MET P08581 3/20 0.46

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
SCHEMBL16571126 0.85 AXL (0.56) AXLNEK2AURKAAURKBALK
SCHEMBL16571137 0.85 AXL (0.56) AXLNEK2AURKAAURKBALK
SCHEMBL16571263 0.84 AXL (0.54) AXLNEK2AURKAAURKBALK
SCHEMBL885317 0.83 AXL (0.73) AXLNEK2AURKAAURKBALK
SCHEMBL24072923 0.80 AXL (0.76) AXLNEK2AURKAAURKBALK
SCHEMBL24073783 0.80 AXL (0.76) AXLNEK2AURKAAURKBALK
SCHEMBL886555 0.79 AXL (0.77) AXLNEK2AURKAAURKBALK
SCHEMBL884792 0.78 ALK (0.62) ALKINSRIGF1RKCNH2
SCHEMBL886563 0.78 AXL (0.70) AXLNEK2AURKAAURKBALK
SCHEMBL886365 0.77 AXL (0.76) AXLNEK2AURKAAURKBALK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP claimed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO claimed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed