SCHEMBL20053900

SCHEMBL20053900

COC(=O)C1CCC(N/C=C(\C=N)Nc2nccc(-c3ccc(CNC(=O)OC(C)(C)C)c(C)c3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.43
▸ AAK1 Q2M2I8 6/20 0.42
▸ JAK2 O60674 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CD69 Q07108 1/20 0.37
▸ MAP3K19 Q56UN5 1/20 0.37
▸ CDKL2 Q92772 1/20 0.37
▸ RIOK1 Q9BRS2 1/20 0.37
▸ RIOK2 Q9BVS4 1/20 0.37
▸ BMP2K Q9NSY1 1/20 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
SCHEMBL20053971 0.91 MAPK1 (0.44) BTKAAK1JAK2CYP3A4HRH2
SCHEMBL20053917 0.86 AAK1 (0.47) BTKAAK1JAK2CYP3A4HRH2
SCHEMBL20461227 0.85 BTK (0.58) BTKAAK1JAK2CYP3A4HRH2
SCHEMBL20053927 0.82 AAK1 (0.45) BTKAAK1
SCHEMBL20053961 0.77 MAPK1 (0.40) BTKJAK2CDK7
SCHEMBL20054045 0.77 AAK1 (0.47) BTKAAK1
SCHEMBL20053902 0.77 AAK1 (0.46) BTKAAK1JAK2CYP3A4HRH2
SCHEMBL20054038 0.76 BTK (0.46) BTKAAK1JAK2CYP3A4HRH2
SCHEMBL16794141 0.76 BTK (0.60) BTKAAK1JAK2CYP3A4HRH2
SCHEMBL20461151 0.75 BTK (0.61) BTKAAK1JAK2CYP3A4HRH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 — — EP disclosed
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