SCHEMBL886331

SCHEMBL886331

COC(CN1CCc2ccc(Nc3ncc(Cl)c(NC4C5C=CC(C5)C4C(N)=O)n3)cc2CC1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.61
MET P08581 1/20 0.61
INSR P06213 6/20 0.58
KDR P35968 8/20 0.56
AURKB Q96GD4 8/20 0.56

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
SCHEMBL886330 1.00 ALK (0.61) ALKMETINSRKDRAURKB
SCHEMBL9949272 1.00 ALK (0.61) ALKMETINSRKDRAURKB
SCHEMBL16966235 0.91 ALK (0.51) ALKMETINSRKDRAURKB
SCHEMBL9949634 0.90 ALK (0.62) ALKMETINSRKDRAURKB
SCHEMBL9949630 0.90 ALK (0.62) ALKMETINSRKDRAURKB
SCHEMBL886049 0.86 ALK (0.68) ALKMETINSRKDRAURKB
SCHEMBL886048 0.86 ALK (0.68) ALKMETINSRKDRAURKB
SCHEMBL2061954 0.86 ALK (0.68) ALKMETINSRKDRAURKB
SCHEMBL2943198 0.83 ALK (0.65) ALKMETINSRKDRAURKB
SCHEMBL2062432 0.82 ALK (0.68) ALKMETINSRKDRAURKB

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 4 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 claimed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO claimed
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