SCHEMBL3006532

SCHEMBL3006532

CCN1CCc2ccc([AsH]c3ncc(Cl)c(NCc4ccccc4C(N)=O)n3)cc2CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
INSR P06213 5/20 0.40
ALK Q9UM73 5/20 0.40
JAK3 P52333 7/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
MET P08581 3/20 0.39
STAT6 P42226 1/20 0.38
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
NTRK1 P04629 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
TYK2 P29597 1/20 0.36
CD38 P28907 1/20 0.35

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
SCHEMBL2991915 0.87 INSR (0.37) INSRALKJAK3JAK2JAK1
SCHEMBL3007400 0.84 INSR (0.58) INSRALKJAK3JAK2JAK1
SCHEMBL3006537 0.83 MET (0.51) INSRALKJAK3JAK2JAK1
SCHEMBL3006529 0.80 MET (0.60) INSRALKMET
SCHEMBL1080984 0.71 AURKA (0.52) JAK3JAK2JAK1STAT6AURKA
SCHEMBL3005454 0.71 MET (0.61) INSRALKMET
SCHEMBL2991913 0.68 MET (0.57) INSRALKJAK2METAURKA
SCHEMBL2991917 0.68 MET (0.57) INSRALKJAK2METAURKA
SCHEMBL3007404 0.68 MET (0.70) INSRALKJAK3JAK2JAK1
SCHEMBL3264905 0.68 INSR (0.46) INSRALKJAK2MET

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