SCHEMBL25167073

SCHEMBL25167073

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 17/20 0.44
▸ BRAF P15056 1/20 0.38
▸ PTK6 Q13882 1/20 0.37
▸ MAPKAPK5 Q8IW41 1/20 0.36

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
SCHEMBL22124800 0.94 TTK (0.43) TTKBRAFPTK6MAPKAPK5
SCHEMBL22124680 0.94 TTK (0.45) TTKBRAFPTK6MAPKAPK5
SCHEMBL22125103 0.93 TTK (0.45) TTKBRAFPTK6MAPKAPK5
SCHEMBL22124762 0.93 TTK (0.45) TTKBRAFPTK6MAPKAPK5
SCHEMBL22125197 0.93 TTK (0.45) TTKBRAFPTK6MAPKAPK5
SCHEMBL22139173 0.92 TTK (0.44) TTKBRAFPTK6MAPKAPK5
SCHEMBL22124779 0.92 TTK (0.44) TTKBRAFPTK6MAPKAPK5
SCHEMBL22124901 0.92 TTK (0.44) TTKBRAFPTK6MAPKAPK5
SCHEMBL30172056 0.92 TTK (0.44) TTKBRAFPTK6MAPKAPK5
SCHEMBL22123517 0.92 TTK (0.45) TTKBRAFPTK6MAPKAPK5

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
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