SCHEMBL20053904

SCHEMBL20053904

CN/C=C(\C=N)Nc1nccc(-c2ccc(CNC(=O)c3ccc(C(C)(C)C)cc3)c(C)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.51
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL20461218 0.83 BTK (0.40) BTK
SCHEMBL20461116 0.81 BTK (0.61) BTK
SCHEMBL20461147 0.81 BTK (0.49) BTK
SCHEMBL20461040 0.80 BTK (0.48) BTK
SCHEMBL20053917 0.80 AAK1 (0.47) BTK
SCHEMBL20053966 0.79 BTK (0.52) BTK
SCHEMBL20461005 0.79 BTK (0.52) BTKEPHX2
SCHEMBL20053910 0.79 BTK (0.52) BTKEPHX2
SCHEMBL20053939 0.79 BTK (0.47) BTK
SCHEMBL20053949 0.79 BTK (0.47) 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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