SCHEMBL2940307

SCHEMBL2940307

CCN1CC(=O)Nc2cc(Nc3ncc(Cl)c(NC4C5C=CC(C5)C4C(N)=O)n3)c(OC)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.65
INSR P06213 8/20 0.65
KDR P35968 5/20 0.55
AURKB Q96GD4 5/20 0.55
PTK2 Q05397 2/20 0.49
NUAK1 O60285 1/20 0.49
CHEK2 O96017 1/20 0.49
FES P07332 1/20 0.49
FER P16591 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49
MAPK8 P45983 1/20 0.49
RPS6KA3 P51812 1/20 0.49
TNK2 Q07912 1/20 0.49
MAP4K2 Q12851 1/20 0.49
PTK6 Q13882 1/20 0.49
RPS6KA2 Q15349 1/20 0.49
RPS6KA1 Q15418 1/20 0.49
RPS6KA6 Q9UK32 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL2060959 1.00 ALK (0.65) ALKINSRKDRAURKBPTK2
SCHEMBL2060759 0.93 ALK (0.65) ALKINSRKDRAURKBPTK2
SCHEMBL2061456 0.93 ALK (0.61) ALKINSRKDRAURKBPTK2
SCHEMBL886318 0.91 ALK (0.58) ALKINSRKDRAURKBPTK2
SCHEMBL16966230 0.91 ALK (0.53) ALKINSRKDRAURKBPTK2
SCHEMBL2061509 0.86 ALK (0.77) ALKINSRKDRAURKBPTK2
SCHEMBL2060537 0.85 ALK (0.75) ALKINSRKDRAURKBPTK2
SCHEMBL16966153 0.83 ALK (0.50) ALKINSRKDRAURKBPTK2
SCHEMBL16966139 0.83 ALK (0.53) ALKINSRKDRAURKBPTK2
SCHEMBL2060967 0.83 ALK (0.63) ALKINSRKDRAURKBPTK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
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