SCHEMBL2995273

SCHEMBL2995273

CCN1CCN(CC)c2cc(Nc3ncc(Cl)c([AsH]c4ccccc4NS(C)(=O)=O)n3)c(Cl)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.41
EGFR P00533 8/20 0.39
FLT3 P36888 2/20 0.39
ROS1 P08922 4/20 0.39
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL886780 0.86 ALK (0.54) ALKEGFRFLT3ROS1LRRK2
SCHEMBL886034 0.76 ALK (0.59) ALKEGFRFLT3ROS1LRRK2
SCHEMBL16966105 0.75 ALK (0.45) ALKEGFRROS1
SCHEMBL2062455 0.74 ALK (0.61) ALKFLT3
SCHEMBL3007550 0.71 ALK (0.62) ALKFLT3
SCHEMBL886077 0.70 AXL (0.67) ALK
SCHEMBL2063059 0.67 ALK (0.66) ALK
SCHEMBL2062527 0.67 ALK (0.64) ALKROS1
SCHEMBL886301 0.66 ALK (0.56) ALKEGFRFLT3ROS1LRRK2
SCHEMBL16966154 0.66 ALK (0.44) ALKLRRK2

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