SCHEMBL22123535

SCHEMBL22123535

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NC(C)CNC(=O)C1CCN(CC2CNC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.33
▸ TTK P33981 3/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 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
SCHEMBL22123534 1.00 PTK6 (0.33) PTK6TTKJAK2JAK1
Formic Acid SCHEMBL30171767 0.98 PTK6 (0.32) PTK6TTKJAK2JAK1
SCHEMBL22123824 0.92 PTK6 (0.37) PTK6TTKJAK2JAK1
SCHEMBL22123823 0.92 PTK6 (0.37) PTK6TTKJAK2JAK1
SCHEMBL30385502 0.92 PTK6 (0.37) PTK6TTKJAK2JAK1
SCHEMBL28982170 0.91 JAK2 (0.33) PTK6TTKJAK2JAK1
SCHEMBL28982168 0.91 JAK2 (0.33) PTK6TTKJAK2JAK1
Formic Acid SCHEMBL30171911 0.90 PTK6 (0.36) PTK6TTKJAK2JAK1
SCHEMBL25176001 0.90 — —
Trifluoroacetic Acid SCHEMBL28982197 0.90 — —

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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