SCHEMBL25014257

SCHEMBL25014257

Cc1cc(Nc2nccn3c(-c4ccc(CC(F)F)cc4)cnc23)ccc1C(=O)NCC(C)N

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 17/20 0.49
▸ PTK6 Q13882 1/20 0.40
▸ MAPKAPK5 Q8IW41 2/20 0.39

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
SCHEMBL22123439 0.89 TTK (0.49) TTKPTK6MAPKAPK5
SCHEMBL22123438 0.89 TTK (0.49) TTKPTK6MAPKAPK5
SCHEMBL22124793 0.89 TTK (0.49) TTKPTK6MAPKAPK5
SCHEMBL24870824 0.86 TTK (0.45) TTKPTK6MAPKAPK5
SCHEMBL25013028 0.84 TTK (0.43) TTKPTK6MAPKAPK5
SCHEMBL25013062 0.81 TTK (0.40) TTKPTK6MAPKAPK5
SCHEMBL25013701 0.81 TTK (0.50) TTKPTK6MAPKAPK5
SCHEMBL22124068 0.80 PTK6 (0.46) TTKPTK6MAPKAPK5
SCHEMBL22124420 0.80 PTK6 (0.46) TTKPTK6MAPKAPK5
SCHEMBL22124070 0.80 PTK6 (0.46) TTKPTK6MAPKAPK5

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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