SCHEMBL2374068

SCHEMBL2374068

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.46
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
TGFBR1 P36897 2/20 0.40
HSP90AA1 P07900 8/20 0.40
HSP90AB1 P08238 8/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL2375243 0.89 GPR119 (0.39) BTKHSP90AA1HSP90AB1JAK2JAK1
SCHEMBL869772 0.86 SRC (0.49) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL27889143 0.83 BTK (0.52) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL2373910 0.83 SRC (0.45) FGFR1FGFR2FGFR4
SCHEMBL2373942 0.77 ADK (0.44) FGFR1FGFR2FGFR4FGFR3
SCHEMBL869298 0.75 FAAH (0.42) BTKGPR119
SCHEMBL2373341 0.72 ADK (0.42) JAK2JAK1GPR119
SCHEMBL27889184 0.72 BTK (0.42) BTKTGFBR1HSP90AA1HSP90AB1JAK2
SCHEMBL869273 0.71 SRC (0.46)
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