SCHEMBL25014196

SCHEMBL25014196

C#CCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(C)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.42
▸ TTK P33981 3/20 0.38
▸ AURKB Q96GD4 6/20 0.37
▸ LCK P06239 5/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34

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
SCHEMBL22123992 0.93 PTK6 (0.41) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123454 0.91 PTK6 (0.52) PTK6TTKAURKBLCK
SCHEMBL22139150 0.89 PTK6 (0.42) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22139149 0.89 PTK6 (0.42) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124571 0.89 PTK6 (0.38) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123611 0.89 PTK6 (0.41) PTK6JAK2JAK1
SCHEMBL30172088 0.88 PTK6 (0.41) PTK6TTKAURKBLCKJAK2
SCHEMBL24870816 0.88 PTK6 (0.41) PTK6TTKAURKBLCKJAK2
SCHEMBL22154810 0.88 PTK6 (0.41) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123347 0.87 PTK6 (0.40) 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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