SCHEMBL24112091

SCHEMBL24112091

CCOCCNC(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)cc1CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.36
▸ TTK P33981 7/20 0.34
▸ SYK P43405 3/20 0.34
▸ AXL P30530 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ BRAF P15056 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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
SCHEMBL22125094 0.96 KDM4E (0.37) PTK6TTKSYKAXL
SCHEMBL30349829 0.96 KDM4E (0.37) PTK6TTKSYKAXL
SCHEMBL30183513 0.94 PTK6 (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL30385354 0.94 SYK (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22123733 0.94 TTK (0.34) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL25452733 0.94 PTK6 (0.34) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22123578 0.94 SYK (0.36) PTK6TTKSYKAXLMAPKAPK5
Hydrochloric Acid SCHEMBL25173409 0.94 SYK (0.35) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22124597 0.94 SYK (0.37) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL24870783 0.93 TTK (0.37) PTK6TTKSYKAXLMAPKAPK5

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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