SCHEMBL22124871

SCHEMBL22124871

COc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCOCCN

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ PTK6 Q13882 2/20 0.35
▸ SRC P12931 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ TTK P33981 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ MCHR1 Q99705 2/20 0.33
▸ IDO1 P14902 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
Trifluoroacetic Acid SCHEMBL30349560 0.96 SYK (0.36) SYKMAPKAPK5PTK6SRCGSK3A
SCHEMBL22124653 0.96 SYK (0.39) SYKMAPKAPK5PTK6TTKBRAF
SCHEMBL22124815 0.94 TTK (0.39) SYKMAPKAPK5PTK6TTKBRAF
SCHEMBL30349525 0.94 SYK (0.36) SYKMAPKAPK5PTK6TTKBRAF
SCHEMBL30171566 0.94 PTK6 (0.41) SYKMAPKAPK5PTK6MCHR1
SCHEMBL22124604 0.94 PTK6 (0.41) SYKMAPKAPK5PTK6MCHR1
SCHEMBL30385354 0.94 SYK (0.36) SYKMAPKAPK5PTK6TTKBRAF
SCHEMBL22123578 0.94 SYK (0.36) SYKMAPKAPK5PTK6TTKBRAF
SCHEMBL22124567 0.94 SYK (0.36) SYKMAPKAPK5PTK6TTKBRAF
Hydrochloric Acid SCHEMBL30193386 0.94 TTK (0.38) SYKMAPKAPK5PTK6TTKBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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