SCHEMBL885127

SCHEMBL885127

O=S(=O)(c1ccccc1Nc1nc(Nc2ccc3c(c2)CCCC(OCNCCO)C3)ncc1Cl)N1CC[C@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.47
ALK Q9UM73 14/20 0.45
MET P08581 5/20 0.45
INSR P06213 3/20 0.45
PTK2 Q05397 2/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL884840 1.00 AXL (0.47) AXLALKMETINSRPTK2
SCHEMBL2916976 0.93 AXL (0.48) AXLALKMETINSRPTK2
SCHEMBL886706 0.79 INSR (0.66) AXLALKMETINSR
SCHEMBL886310 0.79 MET (0.52) AXLALKMETINSRPTK2
SCHEMBL16571126 0.78 AXL (0.56) AXLALKMETINSRKCNH2
SCHEMBL16571137 0.78 AXL (0.56) AXLALKMETINSRKCNH2
SCHEMBL884893 0.78 ALK (0.60) ALK
SCHEMBL16571447 0.77 ALK (0.43) AXLALKMETINSRPTK2
SCHEMBL16571263 0.76 AXL (0.54) AXLALKMETINSRKCNH2
SCHEMBL2061616 0.75 ALK (0.61) ALKINSRPTK2KCNH2

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