SCHEMBL2911745

SCHEMBL2911745

CON(c1ccc2c(c1)CC(N1CCOCC1)CCC2)c1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.54
INSR P06213 7/20 0.54
KCNH2 Q12809 1/20 0.54
IGF1R P08069 1/20 0.48
AXL P30530 4/20 0.47
PTK2 Q05397 3/20 0.44
NEK2 P51955 1/20 0.44
ZAP70 P43403 2/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL2910791 0.97 ALK (0.54) ALKINSRKCNH2IGF1RAXL
SCHEMBL16571146 0.83 ALK (0.64) ALKINSRKCNH2IGF1RZAP70
SCHEMBL2911743 0.81 ALK (0.45) ALKINSRKCNH2IGF1RAXL
SCHEMBL2909046 0.81 ALK (0.43) ALKINSRKCNH2IGF1RPTK2
SCHEMBL886102 0.80 ALK (0.73) ALKINSRKCNH2IGF1RPTK2
SCHEMBL16571402 0.80 ALK (0.45) ALKINSRKCNH2IGF1RAXL
SCHEMBL886212 0.80 ALK (0.81) ALKINSRKCNH2IGF1RPTK2
SCHEMBL885064 0.80 ALK (0.47) ALKINSRKCNH2IGF1RAXL
SCHEMBL16571138 0.78 ALK (0.46) ALKINSRKCNH2IGF1RAXL
SCHEMBL16571127 0.78 ALK (0.46) ALKINSRKCNH2IGF1RAXL

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