SCHEMBL20053966

SCHEMBL20053966

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HRH2 P25021 1/20 0.52
▸ CDK7 P50613 1/20 0.52
▸ CD69 Q07108 1/20 0.52
▸ AAK1 Q2M2I8 1/20 0.52
▸ MAP3K19 Q56UN5 1/20 0.52
▸ CDKL2 Q92772 1/20 0.52
▸ RIOK1 Q9BRS2 1/20 0.52
▸ RIOK2 Q9BVS4 1/20 0.52
▸ BMP2K Q9NSY1 1/20 0.52

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
SCHEMBL20461147 0.86 BTK (0.49) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20054047 0.83 BTK (0.60) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20461100 0.81 BTK (0.47) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20461246 0.81 BTK (0.62) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16814060 0.81 BTK (0.54) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20053904 0.79 BTK (0.51) BTK
SCHEMBL20461040 0.79 BTK (0.48) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16794020 0.79 BTK (0.81) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20053996 0.79 BTK (0.55) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20461218 0.79 BTK (0.40) BTKJAK2CYP3A4HRH2CDK7

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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