SCHEMBL3264908

SCHEMBL3264908

COCCN1CCc2ccc([AsH]c3ncc(Cl)c(Nc4c(C(N)=O)cc(-c5cnn(C)c5)c(C)c4F)n3)cc2CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 10/20 0.47
MET P08581 6/20 0.47
ALK Q9UM73 10/20 0.40
IKBKB O14920 1/20 0.36
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
WNT1 P04628 1/20 0.34
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
SYK P43405 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK2 P49760 1/20 0.33

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
SCHEMBL3264905 0.87 INSR (0.46) INSRMETALKIKBKBGSK3B
SCHEMBL3264899 0.83 INSR (0.58) INSRMETALKGSK3BDYRK1A
SCHEMBL3005454 0.74 MET (0.61) INSRMETALKEGFR
SCHEMBL3006537 0.72 MET (0.51) INSRMETALKJAK2
SCHEMBL2991920 0.71 MET (0.49) INSRMETALKJAK2
SCHEMBL2938646 0.70 INSR (0.77) INSRMETALK
SCHEMBL886685 0.70 INSR (0.77) INSRMETALK
SCHEMBL886373 0.70 INSR (0.86) INSRMETALK
SCHEMBL18832751 0.67 INSR (0.77) INSRMETALKEGFR
SCHEMBL3006532 0.66 INSR (0.40) INSRMETALKJAK2

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