SCHEMBL25445003

SCHEMBL25445003

Cc1cc(Nc2nccn3c(C)cnc23)ccc1C(=O)N1CCC(CN)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 11/20 0.44
▸ TTK P33981 3/20 0.40
▸ LCK P06239 2/20 0.39
▸ AURKB Q96GD4 1/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ JAK1 P23458 3/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36

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
SCHEMBL24910956 0.88 PTK6 (0.45) PTK6TTKLCKAURKBJAK2
SCHEMBL30171568 0.86 PTK6 (0.48) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22125188 0.86 PTK6 (0.48) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22123966 0.86 PTK6 (0.49) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124133 0.85 PTK6 (0.48) PTK6TTKLCKAURKB
Hydrochloric Acid SCHEMBL30171611 0.85 PTK6 (0.48) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124228 0.84 MAPKAPK5 (0.49) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL30177634 0.84 MAPKAPK5 (0.49) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL25013649 0.83 PTK6 (0.45) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124582 0.83 PTK6 (0.47) PTK6TTKLCKAURKBMAPKAPK5

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
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