SCHEMBL13894056

SCHEMBL13894056

COC(C)(C)c1ccc(C(=O)Nc2cccc(-c3c[nH]c(=O)c(Nc4ccc(C(=O)N5CCOCC5)cn4)c3)c2CO)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.68
CLK2 P49760 1/20 0.68
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
JAK2 O60674 1/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
SRC P12931 1/20 0.42
CYP2C19 P33261 1/20 0.42
FLT3 P36888 1/20 0.42
TEC P42680 1/20 0.42
TXK P42681 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
BMX P51813 1/20 0.42
JAK3 P52333 1/20 0.42
ITK Q08881 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42

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
SCHEMBL13894012 0.93 BTK (0.78) BTKCLK2JAK2INSRIGF1R
SCHEMBL13894023 0.91 BTK (0.67) BTKCLK2
SCHEMBL13894051 0.90 BTK (0.67) BTKCLK2KDM4ERAB9ASRC
SCHEMBL13894124 0.89 BTK (0.65) BTKCLK2KDM4ERAB9ASRC
SCHEMBL3868050 0.88 BTK (0.87) BTKCLK2
SCHEMBL13894115 0.87 BTK (0.63) BTKCLK2KDM4ERAB9ASRC
SCHEMBL1322606 0.84 BTK (0.77) BTKCLK2JAK2INSRIGF1R
SCHEMBL13894025 0.82 BTK (0.67) BTKCLK2KDM4ERAB9AJAK2
SCHEMBL3868921 0.81 BTK (1.00) BTKCLK2
SCHEMBL3892201 0.80 BTK (0.90) BTKCLK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed