SCHEMBL22124789

SCHEMBL22124789

Cc1cc(Nc2nccn3c(-c4ccc(F)cc4)cnc23)ccc1C(=O)NCCOCCN

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.46
▸ MAPKAPK5 Q8IW41 2/20 0.42
▸ IDO1 P14902 3/20 0.42
▸ BRAF P15056 1/20 0.41
▸ PTK6 Q13882 1/20 0.40

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 SCHEMBL30171739 0.99 TTK (0.46) TTKMAPKAPK5IDO1BRAFPTK6
SCHEMBL22124726 0.93 TTK (0.48) TTKMAPKAPK5BRAFPTK6
Hydrochloric Acid SCHEMBL30171803 0.92 TTK (0.47) TTKMAPKAPK5BRAFPTK6
SCHEMBL22124666 0.92 TTK (0.46) TTKMAPKAPK5BRAFPTK6
SCHEMBL22124744 0.92 TTK (0.45) TTKMAPKAPK5BRAFPTK6
SCHEMBL22124765 0.91 TTK (0.48) TTKMAPKAPK5BRAFPTK6
Hydrochloric Acid SCHEMBL30171610 0.91 TTK (0.45) TTKMAPKAPK5BRAFPTK6
SCHEMBL22124837 0.91 TTK (0.40) TTKMAPKAPK5IDO1BRAFPTK6
SCHEMBL22124907 0.90 TTK (0.46) TTKMAPKAPK5BRAFPTK6
SCHEMBL22124704 0.90 TTK (0.45) TTKMAPKAPK5BRAFPTK6

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 5 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-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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