SCHEMBL28048233

SCHEMBL28048233

C[C](C)CN1C=C(c2c[nH]c3ncc(NC(=O)OCc4ccccc4)cc23)CCC1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.71

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
SCHEMBL28048270 0.85 BTK (0.76) BTK
SCHEMBL16150586 0.84 BTK (0.76) BTK
SCHEMBL28048298 0.83 BTK (0.68) BTK
SCHEMBL16150678 0.83 BTK (1.00) BTK
SCHEMBL16150364 0.76 BTK (1.00) BTK
SCHEMBL28048269 0.76 BTK (0.72) BTK
SCHEMBL28825408 0.76 BTK (0.70) BTK
Tert-Butyl Formate SCHEMBL28048300 0.76 BTK (0.60) BTK
SCHEMBL16150857 0.76 BTK (0.77) BTK
SCHEMBL16150792 0.75 BTK (1.00) 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
CN-105142640-A Inhibitors of bruton's tyrosine kinase HOFFMANN LA ROCHE 2015-12-09 CN disclosed