SCHEMBL20203136

SCHEMBL20203136

CCNCCN(C)C(=O)c1ccc(Nc2nc(-c3cccc(N)c3C)cn(C)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.46

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
SCHEMBL3339702 0.86 BTK (0.49) BTK
SCHEMBL3341753 0.79 BTK (0.41) BTK
SCHEMBL3346418 0.78 BTK (0.49) BTK
SCHEMBL3339699 0.77 BTK (0.49) BTK
SCHEMBL3345671 0.76 BTK (0.47) BTK
SCHEMBL3347853 0.76 BTK (0.62) BTK
SCHEMBL23162479 0.75 BTK (0.63) BTK
SCHEMBL3341834 0.75 BTK (0.45) BTK
SCHEMBL3342303 0.75 BTK (0.38) BTK
SCHEMBL174854 0.75 BTK (0.74) 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
WO-2018098275-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed