SCHEMBL25013291

SCHEMBL25013291

Cc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5CNCCO5)c(C)c4)nccn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 16/20 0.48
▸ PTK6 Q13882 2/20 0.43
▸ MAPKAPK5 Q8IW41 2/20 0.41

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
SCHEMBL30171612 0.90 TTK (0.46) TTKPTK6MAPKAPK5
SCHEMBL24870865 0.90 TTK (0.46) TTKPTK6MAPKAPK5
SCHEMBL30171921 0.89 TTK (0.46) TTKPTK6MAPKAPK5
SCHEMBL24870928 0.89 TTK (0.46) TTKPTK6MAPKAPK5
SCHEMBL24870736 0.82 PTK6 (0.48) TTKPTK6MAPKAPK5
SCHEMBL30171931 0.82 PTK6 (0.48) TTKPTK6MAPKAPK5
SCHEMBL25013102 0.82 TTK (0.53) TTKPTK6
SCHEMBL25013672 0.82 TTK (0.55) TTKPTK6
SCHEMBL25013086 0.81 PTK6 (0.54) TTKPTK6
SCHEMBL25014255 0.81 TTK (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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