SCHEMBL2991917

SCHEMBL2991917

CNC(=O)c1ccccc1Nc1nc([AsH]c2ccc3c(c2)CCN(CC(OC)C(F)(F)F)CC3)ncc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.57
INSR P06213 4/20 0.57
MAP4K1 Q92918 1/20 0.51
ALK Q9UM73 13/20 0.48
PTK2 Q05397 2/20 0.43
ULK1 O75385 1/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DCLK1 O15075 1/20 0.43
PDPK1 O15530 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
PAK4 O96013 1/20 0.43
CHEK2 O96017 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43

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
SCHEMBL2991913 1.00 MET (0.57) METINSRMAP4K1ALKPTK2
SCHEMBL886121 0.87 MET (0.75) METINSRMAP4K1ALK
SCHEMBL886120 0.87 MET (0.75) METINSRMAP4K1ALK
SCHEMBL3006529 0.87 MET (0.60) METINSRMAP4K1ALKPTK2
SCHEMBL2991920 0.83 MET (0.49) METINSRMAP4K1ALKJAK2
SCHEMBL2991915 0.82 INSR (0.37) METINSRMAP4K1ALKJAK2
SCHEMBL886250 0.78 MET (0.74) METINSRMAP4K1ALKPTK2
SCHEMBL885567 0.78 MET (0.74) METINSRMAP4K1ALKPTK2
SCHEMBL885568 0.78 MET (0.74) METINSRMAP4K1ALKPTK2
SCHEMBL3005454 0.78 MET (0.61) METINSRMAP4K1ALKEGFR

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