SCHEMBL25012992

SCHEMBL25012992

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCN5CCNC(C=O)C5)c(C)c4)nccn23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.39
▸ PTK6 Q13882 3/20 0.38
▸ AURKB Q96GD4 2/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SYK P43405 1/20 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
SCHEMBL22124457 0.91 TTK (0.42) TTKMAPKAPK5PTK6AURKBCD274
SCHEMBL30183184 0.90 TTK (0.46) TTKMAPKAPK5PTK6AURKBCD274
SCHEMBL22123797 0.87 PTK6 (0.45) TTKMAPKAPK5PTK6AURKBCD274
SCHEMBL22122828 0.86 TTK (0.44) TTKMAPKAPK5PTK6CD274KDM4E
SCHEMBL30171757 0.86 TTK (0.44) TTKMAPKAPK5PTK6CD274KDM4E
SCHEMBL22122944 0.86 PTK6 (0.47) TTKMAPKAPK5PTK6AURKBCD274
SCHEMBL22142812 0.85 TTK (0.43) TTKMAPKAPK5PTK6AURKBCD274
SCHEMBL22123500 0.85 MAPKAPK5 (0.49) TTKMAPKAPK5CD274
SCHEMBL22139159 0.84 PTK6 (0.39) TTKMAPKAPK5PTK6AURKBCD274
SCHEMBL22124775 0.84 PTK6 (0.45) TTKMAPKAPK5PTK6AURKBCD274

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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