SCHEMBL1725880

SCHEMBL1725880

Cc1[nH]c(=O)c(NC2=NC(C)CCO2)cc1-c1cccc(-n2ncc3cc(C(C)(C)C)cc(F)c3c2=O)c1CO

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.54

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
SCHEMBL1725063 0.90 BTK (0.56) BTK
SCHEMBL1725805 0.88 BTK (0.55) BTK
SCHEMBL1727065 0.88 BTK (0.55) BTK
SCHEMBL1725882 0.86 BTK (0.65) BTK
SCHEMBL1726657 0.80 BTK (0.57) BTK
SCHEMBL1725887 0.79 BTK (0.77) BTK
SCHEMBL1725668 0.79 BTK (0.56) BTK
SCHEMBL1726998 0.79 BTK (0.77) BTK
SCHEMBL3051457 0.75 BTK (0.68) BTK
SCHEMBL1727066 0.74 BTK (0.65) BTK

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-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed