SCHEMBL20054058

SCHEMBL20054058

Cc1cc(-c2cc(Nc3cc(CNC(=O)OC(C)(C)C)[nH]n3)ncn2)ccc1CNC(=O)c1cnn(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.46
▸ AAK1 Q2M2I8 2/20 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
SCHEMBL20054015 0.90 BTK (0.47) BTK
SCHEMBL20054022 0.90 BTK (0.48) BTK
SCHEMBL20054013 0.90 BTK (0.49) BTK
SCHEMBL21168787 0.85 BTK (0.46) BTKAAK1
SCHEMBL16794257 0.79 BTK (0.51) BTK
SCHEMBL16814192 0.79 BTK (0.41) BTK
SCHEMBL16814195 0.78 BTK (0.40) BTK
SCHEMBL16793965 0.77 BTK (0.45) BTK
SCHEMBL16794062 0.77 BTK (0.43) BTK
SCHEMBL16794275 0.77 BTK (0.43) 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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