SCHEMBL2911541

SCHEMBL2911541

COCCNC1CCc2ccc(N(OC)c3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N4CCC(O)C4)n3)cc2CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
ALK Q9UM73 14/20 0.38
MET P08581 2/20 0.38
INSR P06213 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
AXL P30530 1/20 0.37

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
SCHEMBL2914305 0.94 EGFR (0.43) EGFRALKMETINSRCDK7
SCHEMBL884841 0.88 EGFR (0.41) EGFRALKMETINSRAXL
SCHEMBL885129 0.88 EGFR (0.41) EGFRALKMETINSRAXL
SCHEMBL2911743 0.85 ALK (0.45) EGFRALKMETINSRCDK7
SCHEMBL884786 0.83 EGFR (0.57) EGFRALK
SCHEMBL884953 0.81 ALK (0.57) EGFRALKINSR
SCHEMBL885064 0.79 ALK (0.47) EGFRALKINSRCDK7CDK9
SCHEMBL884893 0.78 ALK (0.60) EGFRALK
SCHEMBL885042 0.76 AXL (0.46) EGFRALKINSRCDK7CDK9
SCHEMBL884726 0.76 AXL (0.46) EGFRALKINSRCDK7CDK9

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