SCHEMBL884726

SCHEMBL884726

CON(c1ccc2c(c1)CCC(NCC(F)F)CC2)c1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 6/20 0.46
ALK Q9UM73 13/20 0.45
INSR P06213 6/20 0.45
IGF1R P08069 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
KCNH2 Q12809 2/20 0.41
NEK2 P51955 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
EGFR P00533 1/20 0.39
EML4 Q9HC35 1/20 0.39

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
SCHEMBL885042 0.90 AXL (0.46) AXLALKINSRIGF1RAURKA
SCHEMBL16571127 0.85 ALK (0.46) AXLALKINSRIGF1RAURKA
SCHEMBL16571138 0.85 ALK (0.46) AXLALKINSRIGF1RAURKA
SCHEMBL16571264 0.84 ALK (0.44) AXLALKINSRIGF1RAURKA
SCHEMBL884792 0.82 ALK (0.62) ALKINSRIGF1RKCNH2
SCHEMBL885064 0.82 ALK (0.47) AXLALKINSRIGF1RAURKA
SCHEMBL886345 0.79 ALK (0.53) AXLALKINSRIGF1RAURKA
SCHEMBL2061523 0.79 ALK (0.62) AXLALKINSRIGF1RAURKA
SCHEMBL16570651 0.79 ALK (0.44) AXLALKINSRIGF1RAURKA
SCHEMBL16571402 0.79 ALK (0.45) AXLALKINSRIGF1RKCNH2

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