SCHEMBL22123290

SCHEMBL22123290

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ TTK P33981 5/20 0.33
▸ CDK2 P24941 2/20 0.32
▸ SYK P43405 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ ZAP70 P43403 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ IDO1 P14902 4/20 0.32
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL30171532 1.00 MAPKAPK5 (0.34) MAPKAPK5PTK6TTKCDK2SYK
SCHEMBL22123785 0.96 MAPKAPK5 (0.35) MAPKAPK5PTK6TTKCDK2SYK
SCHEMBL22123001 0.94 MAPKAPK5 (0.33) MAPKAPK5PTK6TTKCDK2SYK
SCHEMBL22123048 0.93 HTR2A (0.40) MAPKAPK5PTK6TTKCDK2SYK
SCHEMBL30171576 0.93 MAPKAPK5 (0.33) MAPKAPK5PTK6TTKCDK2SYK
SCHEMBL22124583 0.93 MAPKAPK5 (0.33) MAPKAPK5PTK6TTKCDK2SYK
SCHEMBL22122823 0.93 MAPKAPK5 (0.33) MAPKAPK5PTK6TTKCDK2SYK
SCHEMBL22122906 0.93 MAPKAPK5 (0.34) MAPKAPK5PTK6TTKCDK2SYK
SCHEMBL22123702 0.93 TTK (0.34) MAPKAPK5PTK6TTKCDK2SYK
SCHEMBL30183552 0.93 TTK (0.38) MAPKAPK5PTK6TTKCDK2SYK

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-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN claimed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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