SCHEMBL5548581

SCHEMBL5548581

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(N(c4cc(NC5CC5)ncn4)c4ncc[nH]4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2C2 P49116 8/20 0.57
HCK P08631 7/20 0.57
MAP3K7 O43318 7/20 0.57
MAP4K2 Q12851 7/20 0.57
MAPK14 Q16539 6/20 0.57
MAP3K20 Q9NYL2 2/20 0.55
FES P07332 4/20 0.54
FER P16591 4/20 0.54
GCK P35557 2/20 0.54
MAP4K4 O95819 1/20 0.52
ABL1 P00519 1/20 0.52
RAF1 P04049 1/20 0.52
LYN P07948 1/20 0.52
SRC P12931 1/20 0.52
EPHA2 P29317 1/20 0.52
EPHB2 P29323 1/20 0.52
FLT3 P36888 1/20 0.52
CSK P41240 1/20 0.52
ABL2 P42684 1/20 0.52
EPHB4 P54760 1/20 0.52

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
SCHEMBL3828768 0.77 HCK (0.58) NR2C2HCKMAP3K7MAP4K2MAPK14
SCHEMBL1826484 0.77 NR2C2 (0.58) NR2C2HCKMAP3K7MAP4K2MAPK14
SCHEMBL3234828 0.76 NR2C2 (0.59) NR2C2HCKMAP3K7MAP4K2MAPK14
SCHEMBL3830805 0.76 NR2C2 (0.58) NR2C2HCKMAP3K7MAP4K2MAPK14
SCHEMBL16809203 0.74 NR2C2 (0.85) NR2C2HCKMAP3K7MAP4K2MAPK14
SCHEMBL30967729 0.74 NR2C2 (0.85) NR2C2HCKMAP3K7MAP4K2MAPK14
SCHEMBL1830846 0.73 BRAF (0.47) RAF1BRAF
SCHEMBL30967732 0.73 NR2C2 (1.00) NR2C2HCKMAP3K7MAP4K2MAPK14
SCHEMBL16809250 0.73 NR2C2 (1.00) NR2C2HCKMAP3K7MAP4K2MAPK14
SCHEMBL16809252 0.73 NR2C2 (1.00) NR2C2HCKMAP3K7MAP4K2MAPK14

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-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 EP disclosed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 WO disclosed