SCHEMBL171985

SCHEMBL171985

Cc1c(C#N)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c(=O)n(C)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.70
CLK2 P49760 1/20 0.62
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL12602983 0.90 BTK (0.75) BTKCLK2KDM4ERAB9A
SCHEMBL4078372 0.88 BTK (0.73) BTKCLK2KDM4ERAB9A
SCHEMBL3963393 0.87 BTK (0.71) BTKCLK2KDM4ERAB9A
SCHEMBL12650372 0.85 BTK (0.70) BTKCLK2KDM4ERAB9A
SCHEMBL13894070 0.85 BTK (0.88) BTKCLK2
SCHEMBL102343 0.83 BTK (1.00) BTKCLK2
SCHEMBL1322849 0.82 BTK (0.82) BTKCLK2JAK3
SCHEMBL3867754 0.81 BTK (0.74) BTKCLK2KDM4ERAB9A
SCHEMBL1726747 0.81 BTK (0.63) BTKCLK2KDM4ERAB9A
SCHEMBL1321815 0.81 BTK (0.94) 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
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed