SCHEMBL2375243

SCHEMBL2375243

CC(C)COC(=O)N1CCC(CCn2cc(Br)c3c(Cl)ncnc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.39
BTK Q06187 2/20 0.38
PIK3CD O00329 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KIT P10721 1/20 0.35
ENPP2 Q13822 2/20 0.35
ACACB O00763 1/20 0.34
ADK P55263 1/20 0.34
FAAH O00519 1/20 0.34
HSP90AA1 P07900 4/20 0.34
HSP90AB1 P08238 4/20 0.34

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
SCHEMBL2374068 0.89 BTK (0.46) GPR119BTKJAK2JAK1HSP90AA1
SCHEMBL869298 0.86 FAAH (0.42) GPR119BTKPIK3CDFAAH
SCHEMBL27889184 0.83 BTK (0.42) BTKJAK2JAK1ADKHSP90AA1
SCHEMBL2373341 0.83 ADK (0.42) GPR119PIK3CDJAK2JAK1KIT
SCHEMBL2373044 0.77 ADK (0.43) GPR119PIK3CDJAK2JAK1KIT
SCHEMBL869772 0.75 SRC (0.49) GPR119BTKFAAHHSP90AA1HSP90AB1
SCHEMBL2373910 0.72 SRC (0.45) ADK
SCHEMBL27889143 0.72 BTK (0.52) BTKJAK2JAK1HSP90AA1HSP90AB1
SCHEMBL868204 0.71 ADK (0.41) PIK3CDADK
SCHEMBL4014703 0.69 MAPT (0.47)

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