SCHEMBL2943804

SCHEMBL2943804

COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N4CC[C@H](C)C4)n3)c(OC)cc2CC1.O=[N+]([O-])c1ccccc1S(=O)(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.56
INSR P06213 5/20 0.53

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
SCHEMBL886673 0.92 ALK (0.65) ALKINSR
SCHEMBL885997 0.86 ALK (0.75) ALKINSR
SCHEMBL885996 0.86 ALK (0.75) ALKINSR
SCHEMBL2944232 0.84 ALK (0.67) ALKINSR
SCHEMBL2940993 0.84 ALK (0.63) ALKINSR
SCHEMBL2060755 0.82 ALK (0.75) ALKINSR
SCHEMBL2060758 0.82 ALK (0.75) ALKINSR
SCHEMBL886704 0.80 ALK (0.75) ALKINSR
SCHEMBL886338 0.79 ALK (0.70) ALKINSR
SCHEMBL886522 0.78 ALK (0.81) ALK

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