SCHEMBL25013086

SCHEMBL25013086

Cc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCNC(=O)N5CCNCC5)c(C)c4)nccn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.54
▸ TTK P33981 6/20 0.50
▸ AURKB Q96GD4 7/20 0.43
▸ LCK P06239 6/20 0.43

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
SCHEMBL22123139 0.90 PTK6 (0.51) PTK6TTKAURKBLCK
SCHEMBL25013102 0.89 TTK (0.53) PTK6TTK
SCHEMBL25013672 0.87 TTK (0.55) PTK6TTK
SCHEMBL25013088 0.85 TTK (0.51) PTK6TTK
SCHEMBL25014250 0.85 TTK (0.48) PTK6TTK
SCHEMBL25014255 0.85 TTK (0.48) PTK6TTK
SCHEMBL30183403 0.84 PTK6 (0.47) PTK6TTKAURKBLCK
SCHEMBL22124725 0.83 PTK6 (0.49) PTK6TTKAURKBLCK
SCHEMBL25013288 0.82 TTK (0.47) PTK6TTK
SCHEMBL25013812 0.81 MAPKAPK5 (0.49) PTK6TTKAURKBLCK

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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