SCHEMBL2373044

SCHEMBL2373044

CC(C)COC(=O)N1CC(n2cc(Br)c3c(Cl)ncnc32)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.43
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
PIK3CD O00329 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
FGFR2 P21802 1/20 0.34
SRC P12931 3/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 4/20 0.33
FLT3 P36888 2/20 0.33
KIT P10721 1/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32
KDR P35968 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
SCHEMBL2373341 0.90 ADK (0.42) ADKJAK2JAK1PIK3CDGPR119
SCHEMBL2373942 0.88 ADK (0.44) ADKFGFR2SRCEGFRHCK
SCHEMBL868904 0.82 SRC (0.48) ADKPIK3CDSRCEGFR
SCHEMBL2373910 0.78 SRC (0.45) ADKFGFR2SRCEGFRHCK
SCHEMBL2375243 0.77 GPR119 (0.39) ADKJAK2JAK1PIK3CDGPR119
SCHEMBL14635891 0.73 SRC (0.53) ADKPIK3CDSRCEGFR
SCHEMBL15914127 0.73 SRC (0.53) ADKPIK3CDSRCEGFR
SCHEMBL357171 0.72 SRC (0.52) ADKPIK3CDGPR119SRCEGFR
SCHEMBL18640950 0.72 ADK (0.54) ADKSRCEGFRFLT3RET
SCHEMBL1444354 0.72 RET (0.58) ADKSRCFLT3KITRET

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-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed