SCHEMBL25013682

SCHEMBL25013682

CCCN(CCNC(=O)c1ccc(Nc2nccn3c(-c4ccc(C)cc4)cnc23)cc1C)C(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 19/20 0.47
▸ PTK6 Q13882 1/20 0.38

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
SCHEMBL25013288 0.91 TTK (0.47) TTKPTK6
SCHEMBL25013290 0.88 TTK (0.46) TTKPTK6
SCHEMBL25013149 0.87 TTK (0.46) TTKPTK6
SCHEMBL25013088 0.85 TTK (0.51) TTKPTK6
SCHEMBL25013144 0.81 TTK (0.49) TTKPTK6
SCHEMBL25013086 0.79 PTK6 (0.54) TTKPTK6
SCHEMBL25013102 0.79 TTK (0.53) TTKPTK6
SCHEMBL25013672 0.79 TTK (0.55) TTKPTK6
SCHEMBL25013701 0.77 TTK (0.50) TTKPTK6
SCHEMBL22122920 0.77 TTK (0.48) TTKPTK6

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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