SCHEMBL22123785

SCHEMBL22123785

CCc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)NCCN

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ PTK6 Q13882 1/20 0.34
▸ TTK P33981 5/20 0.33
▸ IDO1 P14902 5/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ SYK P43405 3/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32
▸ NEK2 P51955 1/20 0.31
▸ ZAP70 P43403 1/20 0.30
▸ KARS1 Q15046 1/20 0.30
▸ AXL P30530 1/20 0.30

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
SCHEMBL22123290 0.96 MAPKAPK5 (0.34) MAPKAPK5PTK6TTKIDO1CDK2
SCHEMBL30171532 0.96 MAPKAPK5 (0.34) MAPKAPK5PTK6TTKIDO1CDK2
SCHEMBL22122823 0.94 MAPKAPK5 (0.33) MAPKAPK5PTK6TTKIDO1CDK2
SCHEMBL22124583 0.94 MAPKAPK5 (0.33) MAPKAPK5PTK6TTKIDO1CDK2
SCHEMBL30171576 0.94 MAPKAPK5 (0.33) MAPKAPK5PTK6TTKIDO1CDK2
SCHEMBL30193373 0.94 PTK6 (0.36) MAPKAPK5PTK6TTKIDO1CDK2
SCHEMBL22122906 0.94 MAPKAPK5 (0.34) MAPKAPK5PTK6TTKIDO1CDK2
SCHEMBL22123337 0.93 TTK (0.34) MAPKAPK5PTK6TTKIDO1CDK2
SCHEMBL22123001 0.93 MAPKAPK5 (0.33) MAPKAPK5PTK6TTKIDO1CDK2
SCHEMBL30183701 0.92 TTK (0.39) MAPKAPK5PTK6TTKIDO1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898631-A1 NOVEL 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-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 — — CN 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-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES 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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