SCHEMBL24910577

SCHEMBL24910577

CNC(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(C)c4)cnc23)cc1C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 9/20 0.51
▸ SYK P43405 5/20 0.47
▸ PTK6 Q13882 2/20 0.46
▸ AURKB Q96GD4 1/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ PTK2 Q05397 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL30349717 0.93 TTK (0.47) TTKSYKPTK6AURKBMAPKAPK5
SCHEMBL22122923 0.93 PTK6 (0.49) TTKSYKPTK6AURKBMAPKAPK5
SCHEMBL30171768 0.93 PTK6 (0.49) TTKSYKPTK6AURKBMAPKAPK5
SCHEMBL22122930 0.90 TTK (0.49) TTKSYKPTK6MAPKAPK5
SCHEMBL22122881 0.86 TTK (0.50) TTKPTK6MAPKAPK5
SCHEMBL22123172 0.86 TTK (0.41) TTKSYKPTK6PTK2POLB
SCHEMBL30171980 0.86 TTK (0.41) TTKSYKPTK6PTK2POLB
SCHEMBL24978344 0.86 TTK (0.47) TTKSYKPTK6AURKBMAPKAPK5
SCHEMBL25170256 0.84 MAPKAPK5 (0.48) TTKSYKPTK6AURKBMAPKAPK5
SCHEMBL30385742 0.84 MAPKAPK5 (0.48) TTKSYKPTK6AURKBMAPKAPK5

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-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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