SCHEMBL20054047

SCHEMBL20054047

CNC(=O)C(C)(C)N/C=C(\C=N)Nc1nccc(-c2ccc(CNC(=O)N3CC(OC(C)C)C3)c(C)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.60
▸ CD69 Q07108 2/20 0.60
▸ JAK2 O60674 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ HRH2 P25021 1/20 0.60
▸ CDK7 P50613 1/20 0.60
▸ AAK1 Q2M2I8 1/20 0.60
▸ MAP3K19 Q56UN5 1/20 0.60
▸ CDKL2 Q92772 1/20 0.60
▸ RIOK1 Q9BRS2 1/20 0.60
▸ RIOK2 Q9BVS4 1/20 0.60
▸ BMP2K Q9NSY1 1/20 0.60

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
SCHEMBL20461246 0.86 BTK (0.62) BTKCD69JAK2CYP3A4HRH2
SCHEMBL20053966 0.83 BTK (0.52) BTKCD69JAK2CYP3A4HRH2
SCHEMBL16794172 0.79 BTK (0.80) BTKCD69JAK2CYP3A4HRH2
SCHEMBL29986746 0.78 BTK (0.69) BTKCD69JAK2CYP3A4HRH2
SCHEMBL28881293 0.78 BTK (0.69) BTKCD69JAK2CYP3A4HRH2
SCHEMBL20461147 0.77 BTK (0.49) BTKCD69JAK2CYP3A4HRH2
SCHEMBL29676750 0.77 BTK (0.69) BTKCD69JAK2CYP3A4HRH2
SCHEMBL16794224 0.77 BTK (0.69) BTKCD69JAK2CYP3A4HRH2
SCHEMBL20461100 0.76 BTK (0.47) BTKCD69JAK2CYP3A4HRH2
SCHEMBL16794321 0.75 BTK (0.78) BTKCD69JAK2CYP3A4HRH2

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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