SCHEMBL13894023

SCHEMBL13894023

O=C(Nc1cccc(-c2c[nH]c(=O)c(Nc3ccc(C(=O)N4CCOCC4)cn3)c2)c1CO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.67
CLK2 P49760 1/20 0.67
MTTP P55157 1/20 0.44
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
TYK2 P29597 1/20 0.43
KCNH2 Q12809 1/20 0.43

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) BTKCLK2
SCHEMBL13894051 0.93 BTK (0.67) BTKCLK2TYK2
SCHEMBL13894124 0.92 BTK (0.65) BTKCLK2TYK2
SCHEMBL13894056 0.91 BTK (0.68) BTKCLK2
SCHEMBL13894115 0.90 BTK (0.63) BTKCLK2
SCHEMBL3867480 0.87 BTK (0.88) BTKCLK2
SCHEMBL1322606 0.84 BTK (0.77) BTKCLK2
SCHEMBL13894025 0.83 BTK (0.67) BTKCLK2
SCHEMBL3892201 0.82 BTK (0.90) BTKCLK2
SCHEMBL3872827 0.82 BTK (0.86) 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