SCHEMBL18759182

SCHEMBL18759182

CCC1[C@H](C(C)(C)C)N(C(=O)O)CCN1c1ccc(Nc2cc(Br)cn(C)c2=O)nc1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.37

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
SCHEMBL18759181 1.00 BTK (0.37) BTK
SCHEMBL14912700 0.89 BTK (0.39) BTK
SCHEMBL14915915 0.89 BTK (0.39) BTK
SCHEMBL14915916 0.89 BTK (0.39) BTK
SCHEMBL14914814 0.80 BTK (0.41) BTK
SCHEMBL17220299 0.80 BTK (0.39) BTK
SCHEMBL14912227 0.78 BTK (0.39) BTK
SCHEMBL14915354 0.78 BTK (0.42) BTK
SCHEMBL14913137 0.77 BTK (0.42) BTK
SCHEMBL28357589 0.77 BTK (0.42) 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-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 — — EP disclosed
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