SCHEMBL885064

SCHEMBL885064

COCCNC1CCCc2cc(N(OC)c3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.47
INSR P06213 8/20 0.47
KCNH2 Q12809 1/20 0.44
AXL P30530 5/20 0.44
IGF1R P08069 1/20 0.41
EGFR P00533 2/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
NEK2 P51955 1/20 0.40
EML4 Q9HC35 1/20 0.39
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL16571264 0.90 ALK (0.44) ALKINSRKCNH2AXLIGF1R
SCHEMBL16571127 0.90 ALK (0.46) ALKINSRKCNH2AXLIGF1R
SCHEMBL16571138 0.90 ALK (0.46) ALKINSRKCNH2AXLIGF1R
SCHEMBL16571402 0.87 ALK (0.45) ALKINSRKCNH2AXLIGF1R
SCHEMBL16570651 0.84 ALK (0.44) ALKINSRKCNH2AXLIGF1R
SCHEMBL2910791 0.82 ALK (0.54) ALKINSRKCNH2AXLIGF1R
SCHEMBL885042 0.82 AXL (0.46) ALKINSRKCNH2AXLIGF1R
SCHEMBL884726 0.82 AXL (0.46) ALKINSRKCNH2AXLIGF1R
SCHEMBL884841 0.82 EGFR (0.41) ALKINSRKCNH2AXLEGFR
SCHEMBL885129 0.82 EGFR (0.41) ALKINSRKCNH2AXLEGFR

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