SCHEMBL24112349

SCHEMBL24112349

CCOCCN(C)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4)cnc23)cc1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ TTK P33981 10/20 0.40
▸ SYK P43405 4/20 0.39
▸ PTK6 Q13882 3/20 0.39
▸ AURKB Q96GD4 2/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ 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
SCHEMBL25170323 0.93 MAPKAPK5 (0.40) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22124730 0.93 TTK (0.40) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL25450721 0.92 MAPKAPK5 (0.40) MAPKAPK5TTKSYKPTK6AURKB
Hydrochloric Acid SCHEMBL25176395 0.92 MAPKAPK5 (0.40) MAPKAPK5TTKSYKPTK6AURKB
Hydrochloric Acid SCHEMBL30386094 0.92 MAPKAPK5 (0.40) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL25444498 0.91 TTK (0.40) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22124330 0.91 MAPKAPK5 (0.42) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22123692 0.91 MAPKAPK5 (0.43) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22154245 0.90 MAPKAPK5 (0.42) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL25446266 0.90 TTK (0.40) MAPKAPK5TTKSYKPTK6AURKB

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-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
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