SCHEMBL25013246

SCHEMBL25013246

Cc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCC5CCNCC5)c(C)c4)nccn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 15/20 0.48
▸ PTK6 Q13882 2/20 0.45
▸ AURKA O14965 2/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.38

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
SCHEMBL22123030 0.94 PTK6 (0.47) TTKPTK6AURKB
Hydrochloric Acid SCHEMBL30171859 0.94 PTK6 (0.47) TTKPTK6AURKB
SCHEMBL22122995 0.93 TTK (0.46) TTKPTK6AURKAAURKB
SCHEMBL22123765 0.90 TTK (0.46) TTKPTK6AURKBMAPKAPK5
Hydrochloric Acid SCHEMBL25167713 0.90 TTK (0.45) TTKPTK6AURKBMAPKAPK5
SCHEMBL22123675 0.89 TTK (0.46) TTKPTK6AURKBMAPKAPK5
SCHEMBL22139088 0.87 TTK (0.44) TTKPTK6AURKBMAPKAPK5
Hydrochloric Acid SCHEMBL30172110 0.87 TTK (0.44) TTKPTK6AURKBMAPKAPK5
SCHEMBL25014181 0.87 PTK6 (0.43) TTKPTK6AURKB
SCHEMBL25013672 0.87 TTK (0.55) TTKPTK6

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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