SCHEMBL22123869

SCHEMBL22123869

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.37
▸ PTK6 Q13882 2/20 0.37
▸ ALK Q9UM73 4/20 0.36
▸ KDR P35968 5/20 0.36
▸ EPHA2 P29317 2/20 0.36
▸ EPHB4 P54760 2/20 0.36
▸ KMT5A Q9NQR1 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ SUV39H2 Q9H5I1 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ LCK P06239 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL22123871 0.91 PTK6 (0.40) EGFRPTK6KDREPHA2EPHB4
SCHEMBL30385489 0.84 PTK6 (0.41) PTK6ALKKDREPHA2EPHB4
SCHEMBL22156708 0.81 EGFR (0.38) EGFRPTK6ALKLCK
SCHEMBL22124312 0.81 BRD4 (0.41) EGFRKDR
SCHEMBL22123217 0.80 PTK6 (0.48) EGFRPTK6LCKERBB2
SCHEMBL25173466 0.80 PTK6 (0.43) PTK6
SCHEMBL25170927 0.79 TGM2 (0.43) PTK6KDREPHA2EPHB4
SCHEMBL22123805 0.78 SYK (0.34) EGFRPTK6KDR
SCHEMBL25447130 0.78 BRD4 (0.38) EGFRPTK6SUV39H2
SCHEMBL22125440 0.77 PTK6 (0.59) PTK6LCK

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 4 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-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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
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