SCHEMBL16248343

SCHEMBL16248343

CCCn1nc(Nc2cc(-c3ccnc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)nn(C)c2=O)cc1CC

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.67
KCNH2 Q12809 1/20 0.52

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
SCHEMBL14914679 0.88 BTK (0.80) BTKKCNH2
SCHEMBL14696350 0.86 BTK (0.67) BTKKCNH2
SCHEMBL14914734 0.85 BTK (0.70) BTKKCNH2
SCHEMBL14696549 0.85 BTK (0.67) BTKKCNH2
SCHEMBL14929591 0.84 BTK (0.70) BTKKCNH2
SCHEMBL14696537 0.83 BTK (0.69) BTKKCNH2
SCHEMBL14696702 0.83 BTK (0.67) BTKKCNH2
SCHEMBL14915601 0.83 BTK (0.85) BTKKCNH2
SCHEMBL14696494 0.83 BTK (0.68) BTKKCNH2
SCHEMBL14929627 0.82 BTK (0.61) BTKKCNH2

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
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 US disclosed