SCHEMBL22124124

SCHEMBL22124124

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCC(NC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 14/20 0.49
▸ PTK6 Q13882 6/20 0.48
▸ LCK P06239 2/20 0.41
▸ AURKB Q96GD4 2/20 0.40

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
SCHEMBL22125006 0.94 PTK6 (0.48) TTKPTK6LCKAURKB
SCHEMBL22123995 0.93 PTK6 (0.48) TTKPTK6LCKAURKB
SCHEMBL22124377 0.92 TTK (0.46) TTKPTK6LCKAURKB
SCHEMBL24112317 0.92 PTK6 (0.47) TTKPTK6LCKAURKB
SCHEMBL25436549 0.92 PTK6 (0.47) TTKPTK6LCKAURKB
SCHEMBL22124987 0.92 PTK6 (0.48) TTKPTK6LCKAURKB
SCHEMBL28919797 0.91 PTK6 (0.50) TTKPTK6LCKAURKB
SCHEMBL22124372 0.91 PTK6 (0.46) TTKPTK6LCKAURKB
SCHEMBL22123962 0.91 PTK6 (0.47) TTKPTK6LCKAURKB
SCHEMBL24870700 0.90 PTK6 (0.50) TTKPTK6LCKAURKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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