SCHEMBL16966176

SCHEMBL16966176

COCCN1CCN(C)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4CN[SH](=O)=O)n3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
INSR P06213 7/20 0.54
MET P08581 6/20 0.54
EGFR P00533 5/20 0.47
ALK Q9UM73 10/20 0.46
AXL P30530 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL16966150 0.87 INSR (0.71) INSRMETEGFRALKAXL
SCHEMBL2062228 0.86 ALK (0.58) INSRMETEGFRALKFLT3
SCHEMBL16966032 0.84 INSR (0.53) INSRMETEGFRALKAXL
SCHEMBL886071 0.84 MET (0.76) INSRMETEGFRALK
SCHEMBL16966003 0.83 MET (0.46) INSRMETEGFRALKAXL
SCHEMBL16966020 0.79 CCNA2 (0.49) INSRMETEGFRALKAXL
SCHEMBL16965993 0.79 ALK (0.64) INSRMETALK
SCHEMBL16966205 0.79 MET (0.47) INSRMETEGFRALKAXL
SCHEMBL886819 0.78 MET (0.76) INSRMETEGFRALK
SCHEMBL30833783 0.77 SYK (0.47) METEGFRALKAXLFLT3

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-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP claimed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP claimed