SCHEMBL22139102

SCHEMBL22139102

C=C(NCCOCCN1CCNCC1)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)cc1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.39
▸ SYK P43405 1/20 0.37
▸ AURKB Q96GD4 2/20 0.36
▸ EGFR P00533 5/20 0.35
▸ TTK P33981 3/20 0.35
▸ QPCT Q16769 7/20 0.35
▸ FGFR3 P22607 1/20 0.33
▸ ERBB2 P04626 2/20 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
SCHEMBL22123217 0.87 PTK6 (0.48) PTK6AURKBEGFRFGFR3ERBB2
SCHEMBL22122922 0.87 PTK6 (0.43) PTK6AURKBEGFRTTKQPCT
SCHEMBL30171553 0.87 PTK6 (0.43) PTK6AURKBEGFRTTKQPCT
SCHEMBL22123141 0.87 TTK (0.38) PTK6AURKBEGFRTTKFGFR3
SCHEMBL22123977 0.87 PTK6 (0.44) PTK6AURKBEGFRTTKFGFR3
SCHEMBL30171824 0.87 PTK6 (0.44) PTK6AURKBEGFRTTKFGFR3
SCHEMBL25444479 0.86 PTK6 (0.42) PTK6AURKBTTKQPCTFGFR3
Hydrochloric Acid SCHEMBL30171690 0.86 PTK6 (0.43) PTK6AURKBEGFRTTKFGFR3
SCHEMBL25013228 0.85 PTK6 (0.41) PTK6SYKAURKBTTK
Trifluoroacetic Acid SCHEMBL22123238 0.84 TTK (0.39) PTK6AURKBTTKFGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES 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
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