SCHEMBL25013121

SCHEMBL25013121

CCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(C(=O)N6CCN[C@@H](C(=O)O)C6)CC5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 20/20 0.52
▸ LCK P06239 7/20 0.43
▸ AURKB Q96GD4 5/20 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
SCHEMBL22123770 0.93 PTK6 (0.49) PTK6LCKAURKB
SCHEMBL22123914 0.93 PTK6 (0.49) PTK6LCKAURKB
SCHEMBL22123767 0.93 PTK6 (0.49) PTK6LCKAURKB
SCHEMBL22123256 0.89 PTK6 (0.55) PTK6LCKAURKB
SCHEMBL30177884 0.88 PTK6 (0.43) PTK6LCKAURKB
SCHEMBL30201779 0.87 PTK6 (0.56) PTK6LCKAURKB
SCHEMBL22125230 0.87 PTK6 (0.56) PTK6LCKAURKB
SCHEMBL22142704 0.86 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL24916537 0.86 PTK6 (0.41) PTK6LCKAURKB
SCHEMBL22125164 0.86 PTK6 (0.51) PTK6LCKAURKB

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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