SCHEMBL2373341

SCHEMBL2373341

CC(C)COC(=O)N1CCC(n2cc(Br)c3c(Cl)ncnc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.42
GPR119 Q8TDV5 6/20 0.41
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
PIK3CD O00329 2/20 0.37
SRC P12931 2/20 0.36
EGFR P00533 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HCK P08631 4/20 0.35
FLT3 P36888 2/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL2373044 0.90 ADK (0.43) ADKGPR119JAK2JAK1PIK3CD
SCHEMBL2373910 0.88 SRC (0.45) ADKSRCEGFRHCKFLT3
SCHEMBL2375243 0.83 GPR119 (0.39) ADKGPR119JAK2JAK1PIK3CD
SCHEMBL357171 0.83 SRC (0.52) ADKGPR119PIK3CDSRCEGFR
SCHEMBL28800796 0.81 ADK (0.47) ADKJAK2JAK1SRCEGFR
SCHEMBL2373942 0.78 ADK (0.44) ADKSRCEGFRHCKFLT3
SCHEMBL25612068 0.76 ADK (0.51) ADKSRCEGFRHCKFLT3
SCHEMBL18640950 0.75 ADK (0.54) ADKSRCEGFRFLT3
SCHEMBL355610 0.75 GPR119 (0.42) GPR119
SCHEMBL1942725 0.73 ADK (0.52) ADKJAK2SRCEGFRFLT3

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