SCHEMBL3659635

SCHEMBL3659635

Cc1c(NC(=O)c2ccc(C(C)CO)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c(=O)n(C)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.61
CLK2 P49760 1/20 0.57

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
SCHEMBL104439 0.88 BTK (0.77) BTKCLK2
SCHEMBL107656 0.88 BTK (0.69) BTKCLK2
SCHEMBL9985437 0.83 BTK (0.79) BTKCLK2
SCHEMBL103784 0.83 BTK (0.67) BTKCLK2
SCHEMBL2492566 0.83 BTK (0.60) BTKCLK2
SCHEMBL3804473 0.82 BTK (0.63) BTKCLK2
SCHEMBL1779482 0.82 BTK (0.65) BTKCLK2
SCHEMBL107601 0.81 BTK (0.60) BTKCLK2
SCHEMBL105988 0.81 BTK (0.64) BTKCLK2
SCHEMBL105574 0.81 BTK (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed