SCHEMBL24112454

SCHEMBL24112454

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCI

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.36
▸ TTK P33981 6/20 0.35
▸ SYK P43405 3/20 0.35
▸ AXL P30530 1/20 0.35
▸ IDO1 P14902 4/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ CDK2 P24941 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL25452873 0.95 PTK6 (0.35) PTK6TTKSYKAXLIDO1
SCHEMBL24870783 0.94 TTK (0.37) PTK6TTKSYKAXLIDO1
SCHEMBL25452733 0.94 PTK6 (0.34) PTK6TTKSYKAXLIDO1
SCHEMBL22122926 0.93 SYK (0.38) PTK6TTKSYKAXLIDO1
SCHEMBL22160896 0.93 PTK6 (0.36) PTK6TTKSYKAXLMAPKAPK5
SCHEMBL22123044 0.92 TTK (0.36) PTK6TTKSYKAXLMAPKAPK5
Hydrochloric Acid SCHEMBL22123235 0.92 SYK (0.37) PTK6TTKSYKAXLIDO1
SCHEMBL24112091 0.92 PTK6 (0.36) PTK6TTKSYKAXLIDO1
SCHEMBL24112433 0.92 SYK (0.36) PTK6TTKSYKAXLMAPKAPK5
Hydrochloric Acid SCHEMBL22123655 0.92 SYK (0.37) PTK6TTKSYKAXLIDO1

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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