SCHEMBL22124765

SCHEMBL22124765

Cc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4)cnc23)ccc1C(=O)NCCOCCN

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 14/20 0.48
▸ PTK6 Q13882 2/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ BRAF P15056 2/20 0.41
▸ NTRK1 P04629 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
Hydrochloric Acid SCHEMBL30171966 0.99 TTK (0.47) TTKPTK6MAPKAPK5BRAFNTRK1
SCHEMBL22124726 0.93 TTK (0.48) TTKPTK6MAPKAPK5BRAF
Hydrochloric Acid SCHEMBL30171803 0.93 TTK (0.47) TTKPTK6MAPKAPK5BRAF
SCHEMBL22124666 0.91 TTK (0.46) TTKPTK6MAPKAPK5BRAF
SCHEMBL22124789 0.91 TTK (0.46) TTKPTK6MAPKAPK5BRAF
SCHEMBL22124907 0.91 TTK (0.46) TTKPTK6MAPKAPK5BRAF
Hydrochloric Acid SCHEMBL30171739 0.90 TTK (0.46) TTKPTK6MAPKAPK5BRAF
Hydrochloric Acid SCHEMBL30171711 0.90 TTK (0.45) TTKPTK6MAPKAPK5BRAF
SCHEMBL22124679 0.90 TTK (0.44) TTKPTK6MAPKAPK5BRAF
Hydrochloric Acid SCHEMBL22123544 0.89 TTK (0.44) TTKPTK6MAPKAPK5BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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