SCHEMBL15085524

SCHEMBL15085524

CC1Cc2cc(Nc3cc(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)nn(C)c3=O)nn2CN1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.63

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
SCHEMBL15085515 0.93 BTK (0.62) BTK
SCHEMBL15085521 0.91 BTK (0.63) BTK
SCHEMBL610224 0.86 BTK (0.67) BTK
SCHEMBL611595 0.85 BTK (0.65) BTK
SCHEMBL610704 0.84 BTK (0.69) BTK
SCHEMBL610716 0.84 BTK (0.66) BTK
SCHEMBL15085519 0.83 BTK (0.68) BTK
SCHEMBL610670 0.82 BTK (0.68) BTK
SCHEMBL610060 0.81 BTK (0.67) BTK
SCHEMBL610497 0.81 BTK (0.70) 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
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US claimed