SCHEMBL16248100

SCHEMBL16248100

COCCNCc1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)pn(C)c2=O)nc1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.55

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
SCHEMBL16248102 0.89 BTK (0.56) BTK
SCHEMBL1724827 0.89 BTK (0.70) BTK
SCHEMBL611518 0.89 BTK (0.67) BTK
SCHEMBL1726635 0.80 BTK (0.74) BTK
SCHEMBL13178675 0.79 BTK (0.57) BTK
SCHEMBL1728409 0.78 BTK (0.80) BTK
SCHEMBL611424 0.78 BTK (0.66) BTK
SCHEMBL1728753 0.77 BTK (0.78) BTK
SCHEMBL1726283 0.77 BTK (0.74) BTK
SCHEMBL608965 0.76 BTK (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed