SCHEMBL22123871

SCHEMBL22123871

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCOCCN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.40
▸ MAPT P10636 3/20 0.38
▸ LCK P06239 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ EPHA2 P29317 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ SUV39H2 Q9H5I1 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ERBB2 P04626 1/20 0.34

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
SCHEMBL22123869 0.91 EGFR (0.37) PTK6LCKMAPK14EPHA2KDR
SCHEMBL22123217 0.89 PTK6 (0.48) PTK6LCKEGFRERBB2
SCHEMBL30385489 0.86 PTK6 (0.41) PTK6MAPTLCKEPHA2KDR
SCHEMBL22123492 0.86 PTK6 (0.39) PTK6LCKTGFBR1TGFBR2MAPK14
SCHEMBL30171566 0.85 PTK6 (0.41) PTK6EGFRERBB2
SCHEMBL22124604 0.85 PTK6 (0.41) PTK6EGFRERBB2
SCHEMBL28982177 0.84 PTK6 (0.34) PTK6LCKKDM4EGAASMN1; SMN2
SCHEMBL22123511 0.84 PTK6 (0.41) PTK6KDREGFRERBB2
SCHEMBL30183416 0.84 PTK6 (0.50) PTK6LCKKDM4EGAASMN1; SMN2
SCHEMBL22122928 0.83 PTK6 (0.51) PTK6LCKEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
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
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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