SCHEMBL22123296

SCHEMBL22123296

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](CO)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.36
▸ JAK2 O60674 13/20 0.36
▸ PTK6 Q13882 1/20 0.36
▸ TTK P33981 1/20 0.32

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
SCHEMBL22123705 1.00 JAK1 (0.36) JAK1JAK2PTK6TTK
SCHEMBL28606016 0.88 PTK6 (0.44) PTK6
SCHEMBL22123154 0.88 JAK1 (0.44) JAK1JAK2PTK6
SCHEMBL22124281 0.87 PTK6 (0.42) PTK6
SCHEMBL22124283 0.87 PTK6 (0.42) PTK6
SCHEMBL22125144 0.86 PTK6 (0.42) JAK1JAK2PTK6TTK
SCHEMBL22124065 0.86 PTK6 (0.42) JAK1JAK2PTK6TTK
SCHEMBL22125059 0.86 PTK6 (0.42) JAK1JAK2PTK6TTK
SCHEMBL30193224 0.86 PTK6 (0.42) JAK1JAK2PTK6TTK
SCHEMBL22139127 0.86 PTK6 (0.48) JAK1JAK2PTK6TTK

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 2 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
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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