SCHEMBL4044845

SCHEMBL4044845

CCCCc1cnccc1C(=O)Nc1ccc(C)c(Nc2cc(CN(C)CCO)nn2-c2cc(NC)ncn2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.36
LYN P07948 9/20 0.36
HCK P08631 8/20 0.35
SRC P12931 8/20 0.35
MAPK14 Q16539 5/20 0.35
ABL1 P00519 2/20 0.35
KDR P35968 7/20 0.33
INSR P06213 6/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
DDR1 Q08345 1/20 0.32
BRAF P15056 1/20 0.32
MAP3K7 O43318 1/20 0.32
FES P07332 1/20 0.32
FER P16591 1/20 0.32
GCK P35557 1/20 0.32
NR2C2 P49116 1/20 0.32
MAP4K2 Q12851 1/20 0.32

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
SCHEMBL4044843 0.86 MAPK14 (0.43) LCKLYNHCKSRCMAPK14
SCHEMBL3587353 0.80 LCK (0.40) LCKLYNHCKSRCKDR
SCHEMBL3590882 0.80 MAPK14 (0.42) LCKLYNHCKSRCMAPK14
SCHEMBL4038573 0.78 LCK (0.38) LCKLYNHCKSRCMAPK14
SCHEMBL3591365 0.77 RAF1 (0.46) BRAF
SCHEMBL3591882 0.76 BRAF (0.51) LCKLYNHCKSRCKDR
SCHEMBL3585793 0.74 LCK (0.38) LCKLYNHCKSRCMAPK14
SCHEMBL4039607 0.73 MAPK14 (0.48) LCKLYNHCKSRCMAPK14
SCHEMBL3589191 0.72 LCK (0.45) LCKLYNHCKSRCKDR
SCHEMBL9970930 0.71 BRAF (0.46) LCKLYNHCKSRCMAPK14

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-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed