SCHEMBL22124141

SCHEMBL22124141

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)C2CNC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 11/20 0.43
▸ AURKB Q96GD4 5/20 0.38
▸ JAK2 O60674 8/20 0.36
▸ JAK1 P23458 7/20 0.36
▸ TTK P33981 1/20 0.36
▸ LCK P06239 4/20 0.35

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
SCHEMBL30177742 1.00 PTK6 (0.43) PTK6AURKBJAK2JAK1TTK
SCHEMBL22142969 0.96 PTK6 (0.43) PTK6AURKBJAK2JAK1TTK
SCHEMBL30172095 0.96 PTK6 (0.43) PTK6AURKBJAK2JAK1TTK
SCHEMBL22124092 0.96 PTK6 (0.43) PTK6AURKBJAK2JAK1TTK
SCHEMBL22139164 0.96 PTK6 (0.43) PTK6AURKBJAK2JAK1TTK
SCHEMBL22124325 0.94 PTK6 (0.46) PTK6AURKBJAK2JAK1TTK
Formic Acid SCHEMBL30171547 0.93 PTK6 (0.42) PTK6AURKBJAK2JAK1TTK
Formic Acid SCHEMBL25175412 0.92 PTK6 (0.44) PTK6AURKBJAK2JAK1TTK
SCHEMBL22139127 0.92 PTK6 (0.48) PTK6AURKBJAK2JAK1TTK
SCHEMBL22123779 0.91 PTK6 (0.52) PTK6AURKBTTKLCK

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
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN claimed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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