SCHEMBL2909046

SCHEMBL2909046

CON(c1ccc2c(c1)CCCC(N1CCOCC1)C2)c1ncc(Cl)c(Nc2ccccc2C(=O)OC(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.43
INSR P06213 11/20 0.43
PTK2 Q05397 7/20 0.43
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
IGF1R P08069 3/20 0.40
MET P08581 3/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DCLK1 O15075 1/20 0.40
PDPK1 O15530 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL2910791 0.84 ALK (0.54) ALKINSRPTK2IGF1RAURKA
SCHEMBL2911745 0.81 ALK (0.54) ALKINSRPTK2IGF1RAURKA
SCHEMBL886297 0.80 ALK (0.67) ALKINSRPTK2MAPK8CHEK2
SCHEMBL2911743 0.76 ALK (0.45) ALKINSRPTK2MAPK8MAPK9
SCHEMBL884794 0.71 MET (0.52) ALKINSRMETCDK7
SCHEMBL885129 0.70 EGFR (0.41) ALKINSRPTK2METEGFR
SCHEMBL884841 0.70 EGFR (0.41) ALKINSRPTK2METEGFR
SCHEMBL16571138 0.69 ALK (0.46) ALKINSRIGF1RAURKACDK7
SCHEMBL16571127 0.69 ALK (0.46) ALKINSRIGF1RAURKACDK7
SCHEMBL16571146 0.67 ALK (0.64) ALKINSRIGF1RKCNH2

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