SCHEMBL13894039

SCHEMBL13894039

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.44
CLK2 P49760 1/20 0.44
DEGS1 O15121 1/20 0.41
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GPR52 Q9Y2T5 2/20 0.35
MTTP P55157 2/20 0.35
ITK Q08881 6/20 0.34
KIT P10721 2/20 0.34
SRC P12931 2/20 0.34
FLT3 P36888 2/20 0.34
GABRA5 P31644 1/20 0.34
GCGR P47871 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL13893961 0.89 BTK (0.48) BTKCLK2KDM4ELMNAPOLB
SCHEMBL13894038 0.87 ITK (0.47) BTKCLK2KDM4ELMNAPOLB
SCHEMBL13894040 0.86 BTK (0.44) BTKCLK2KDM4ELMNAPOLB
SCHEMBL13893959 0.85 BTK (0.43) BTKCLK2KDM4ELMNAPOLB
SCHEMBL13894023 0.76 BTK (0.67) BTKCLK2MTTP
SCHEMBL13894012 0.74 BTK (0.78) BTKCLK2ITKSRCFLT3
SCHEMBL106522 0.74 BTK (0.81) BTKCLK2
SCHEMBL13893962 0.74 BTK (0.41) BTKCLK2KDM4ELMNAPOLB
SCHEMBL13894051 0.73 BTK (0.67) BTKCLK2KDM4ESRC
SCHEMBL15964516 0.73 BTK (0.44) BTKDEGS1KDM4EPOLB

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