SCHEMBL22154245

SCHEMBL22154245

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCN(C)SN5C=C5)c(C)c4)nccn23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ SYK P43405 7/20 0.42
▸ TTK P33981 7/20 0.41
▸ PTK6 Q13882 3/20 0.40
▸ AURKB Q96GD4 2/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ AURKA O14965 1/20 0.36

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
SCHEMBL22123692 0.92 MAPKAPK5 (0.43) MAPKAPK5SYKTTKPTK6AURKB
SCHEMBL22124747 0.91 MAPKAPK5 (0.41) MAPKAPK5SYKTTKPTK6AURKB
SCHEMBL22123361 0.90 MAPKAPK5 (0.44) MAPKAPK5SYKTTKPTK6AURKB
SCHEMBL24112349 0.90 MAPKAPK5 (0.41) MAPKAPK5SYKTTKPTK6AURKB
SCHEMBL22122913 0.90 MAPKAPK5 (0.41) MAPKAPK5SYKTTKPTK6AURKB
SCHEMBL22142784 0.90 MAPKAPK5 (0.41) MAPKAPK5SYKTTKPTK6AURKB
SCHEMBL30171674 0.90 MAPKAPK5 (0.41) MAPKAPK5SYKTTKPTK6AURKB
SCHEMBL22124394 0.90 MAPKAPK5 (0.43) MAPKAPK5SYKTTKPTK6AURKB
SCHEMBL30172085 0.90 MAPKAPK5 (0.43) MAPKAPK5SYKTTKPTK6AURKB
SCHEMBL22124330 0.89 MAPKAPK5 (0.42) MAPKAPK5SYKTTKPTK6AURKB

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
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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