SCHEMBL20054057

SCHEMBL20054057

Cc1cc(-c2cc(Nc3cc4n(n3)CCC4)ncn2)ccc1CNC(=O)/C(C=N)=C/NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 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
SCHEMBL20054055 0.81 IKBKE (0.43) BTK
SCHEMBL16793965 0.79 BTK (0.45) BTK
SCHEMBL20054043 0.78 BTK (0.43) BTK
SCHEMBL20461122 0.74 — —
SCHEMBL20054053 0.73 — —
SCHEMBL16793990 0.72 AAK1 (0.40) BTK
SCHEMBL16814204 0.71 BTK (0.43) BTK
SCHEMBL16794179 0.70 BTK (0.42) BTK
Hydrochloric Acid SCHEMBL16794342 0.70 BTK (0.43) BTK
SCHEMBL16794158 0.70 BTK (0.61) 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
Send feedback