SCHEMBL13893961

SCHEMBL13893961

CC(C)(c1ccc(C(=O)Nc2cccc(-c3c[nH]c(=O)c(Nc4ccc(C(=O)NCCO)cn4)c3)c2CO)cc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.48
CLK2 P49760 1/20 0.48
ITK Q08881 4/20 0.38
KIT P10721 2/20 0.38
SRC P12931 2/20 0.38
FLT3 P36888 2/20 0.38
GPR52 Q9Y2T5 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GABRA5 P31644 1/20 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
SCHEMBL13894039 0.89 BTK (0.44) BTKCLK2ITKKITSRC
SCHEMBL13894038 0.88 ITK (0.47) BTKCLK2ITKKITSRC
SCHEMBL13894040 0.86 BTK (0.44) BTKCLK2ITKKITSRC
SCHEMBL13893959 0.86 BTK (0.43) BTKCLK2ITKKITSRC
SCHEMBL13894012 0.78 BTK (0.78) BTKCLK2ITKSRCFLT3
SCHEMBL13894023 0.78 BTK (0.67) BTKCLK2
SCHEMBL13894056 0.75 BTK (0.68) BTKCLK2ITKSRCFLT3
SCHEMBL13893962 0.74 BTK (0.41) BTKCLK2ITKKDM4ELMNA
SCHEMBL104965 0.74 BTK (0.74) BTKCLK2
SCHEMBL13894051 0.74 BTK (0.67) BTKCLK2SRCKDM4E

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