SCHEMBL22123408

SCHEMBL22123408

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NN(CC)C(=O)N1CCN[C@H](C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.39
▸ AURKB Q96GD4 6/20 0.35
▸ LCK P06239 4/20 0.33
▸ TTK P33981 4/20 0.32
▸ MAPKAPK5 Q8IW41 2/20 0.32
▸ PDE4B Q07343 2/20 0.31
▸ PDE4D Q08499 2/20 0.31

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
SCHEMBL22123395 0.94 PTK6 (0.39) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22123411 0.89 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL30171772 0.89 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL24870995 0.89 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22123256 0.83 PTK6 (0.55) PTK6AURKBLCK
SCHEMBL24870811 0.82 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22123396 0.82 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL30171918 0.82 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL25173677 0.82 TTK (0.40) PTK6TTKMAPKAPK5PDE4BPDE4D
SCHEMBL22124105 0.82 PTK6 (0.55) PTK6AURKBLCKMAPKAPK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
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