SCHEMBL22154567

SCHEMBL22154567

C=CCC(F)Oc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(CC(=O)O)CC5)c(C)c4)nccn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 6/20 0.43
▸ TTK P33981 14/20 0.43
▸ LCK P06239 2/20 0.38
▸ AURKB Q96GD4 2/20 0.37

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
SCHEMBL22124372 0.92 PTK6 (0.46) PTK6TTKLCKAURKB
SCHEMBL24112317 0.85 PTK6 (0.47) PTK6TTKLCKAURKB
SCHEMBL22124582 0.85 PTK6 (0.47) PTK6TTKLCKAURKB
Hydrochloric Acid SCHEMBL30172098 0.84 PTK6 (0.46) PTK6TTKLCKAURKB
SCHEMBL22124293 0.83 PTK6 (0.46) PTK6TTKLCKAURKB
SCHEMBL22124124 0.83 TTK (0.49) PTK6TTKLCKAURKB
SCHEMBL22123995 0.83 PTK6 (0.48) PTK6TTKLCKAURKB
Hydrochloric Acid SCHEMBL25170356 0.83 PTK6 (0.45) PTK6TTKLCKAURKB
SCHEMBL22124987 0.82 PTK6 (0.48) PTK6TTKLCKAURKB
SCHEMBL25450713 0.82 PTK6 (0.45) PTK6TTKLCKAURKB

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
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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