SCHEMBL20054005

SCHEMBL20054005

CNNCCCNNc1cc(-c2ccc(CNC(=O)c3cnc(C(C)(C)C)s3)c(C)c2)ncn1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.68

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
SCHEMBL16814088 0.83 BTK (0.82) BTK
SCHEMBL16793954 0.81 BTK (0.80) BTK
SCHEMBL20053938 0.81 BTK (0.71) BTK
SCHEMBL20461067 0.80 BTK (0.69) BTK
SCHEMBL16794259 0.79 BTK (0.75) BTK
SCHEMBL16794129 0.79 BTK (0.71) BTK
SCHEMBL16793826 0.79 BTK (0.71) BTK
SCHEMBL29676735 0.79 BTK (0.71) BTK
SCHEMBL29676560 0.79 BTK (0.75) BTK
SCHEMBL16794272 0.79 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
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 — — EP disclosed
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