SCHEMBL22123439

SCHEMBL22123439

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCC(C)N

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 17/20 0.49
▸ PTK6 Q13882 1/20 0.40
▸ MAPKAPK5 Q8IW41 2/20 0.39

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
SCHEMBL22123438 1.00 TTK (0.49) TTKPTK6MAPKAPK5
SCHEMBL22124793 1.00 TTK (0.49) TTKPTK6MAPKAPK5
SCHEMBL22123451 0.90 TTK (0.48) TTKPTK6MAPKAPK5
SCHEMBL22124068 0.89 PTK6 (0.46) TTKPTK6MAPKAPK5
SCHEMBL22124420 0.89 PTK6 (0.46) TTKPTK6MAPKAPK5
SCHEMBL22124070 0.89 PTK6 (0.46) TTKPTK6MAPKAPK5
Hydrochloric Acid SCHEMBL25174623 0.89 PTK6 (0.45) TTKPTK6MAPKAPK5
Hydrochloric Acid SCHEMBL25168849 0.89 PTK6 (0.45) TTKPTK6MAPKAPK5
Hydrochloric Acid SCHEMBL25168848 0.89 PTK6 (0.45) TTKPTK6MAPKAPK5
SCHEMBL25014257 0.89 TTK (0.49) TTKPTK6MAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
Send feedback