SCHEMBL2943941

SCHEMBL2943941

CCN1CCc2ccc(Nc3ncc(Cl)c(NC4CCC(O)CC4)n3)cc2CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.69
INSR P06213 11/20 0.69
MET P08581 4/20 0.50
FLT3 P36888 1/20 0.47
TYRO3 Q06418 1/20 0.47
MERTK Q12866 1/20 0.47
GAS6 Q14393 1/20 0.47
STK17B O94768 2/20 0.46
STK17A Q9UEE5 2/20 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
SCHEMBL2942670 0.89 ALK (0.84) ALKINSRMET
Carbamic Acid SCHEMBL16965950 0.88 ALK (0.75) ALKINSRMET
Carbamic Acid SCHEMBL16966128 0.87 ALK (0.74) ALKINSRMET
SCHEMBL16965912 0.86 ALK (0.73) ALKINSRMET
SCHEMBL886806 0.86 ALK (0.80) ALKINSRMETSTK17BSTK17A
SCHEMBL886805 0.86 ALK (0.80) ALKINSRMETSTK17BSTK17A
SCHEMBL2938942 0.86 ALK (0.80) ALKINSRMETSTK17BSTK17A
SCHEMBL886804 0.86 ALK (0.80) ALKINSRMETSTK17BSTK17A
SCHEMBL2061858 0.82 ALK (0.62) ALKINSRMET
SCHEMBL2062352 0.82 ALK (1.00) ALKINSRMET

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 2 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 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