SCHEMBL2916889

SCHEMBL2916889

CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)N(C(C)=O)CCCO3)ncc1Cl.Nc1ccc2c(c1)N(CC=O)CCCO2

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.65
INSR P06213 13/20 0.65
ALK Q9UM73 3/20 0.52
EGFR P00533 2/20 0.52
PTK2 Q05397 3/20 0.52
IGF1R P08069 1/20 0.52
PTK2B Q14289 1/20 0.52
PKMYT1 Q99640 1/20 0.52
SLC2A1 P11166 1/20 0.51
ULK1 O75385 1/20 0.50

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
SCHEMBL2916885 0.93 MET (0.74) METINSRALKEGFRPTK2
SCHEMBL885057 0.89 MET (0.80) METINSRALKEGFRPTK2
SCHEMBL884903 0.81 MET (0.67) METINSRALKEGFRPTK2
SCHEMBL885982 0.81 MET (0.73) METINSRALKEGFRPTK2
SCHEMBL884929 0.79 MET (1.00) METINSR
SCHEMBL2914473 0.77 MET (0.68) METINSR
SCHEMBL885071 0.76 MET (0.81) METINSRALKEGFRPTK2
SCHEMBL17547485 0.75 PTK2 (0.70) METINSRALKEGFRPTK2
SCHEMBL885237 0.74 MET (1.00) METINSR
SCHEMBL2914618 0.74 MET (0.75) METINSR

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