SCHEMBL30385285

SCHEMBL30385285

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC1CC[N+](C)(CC2CN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ TTK P33981 3/20 0.33
▸ PTK2 Q05397 2/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ PTK6 Q13882 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ ERBB3 P21860 1/20 0.32
▸ ERBB4 Q15303 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ TBK1 Q9UHD2 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
Iodide SCHEMBL30386226 0.99 TP53 (0.33) TP53LMNATTKPTK2JAK2
Iodide SCHEMBL25170266 0.92 PTK2 (0.34) TTKPTK2PTK6
Iodide SCHEMBL25170264 0.92 PTK2 (0.34) TTKPTK2PTK6
Iodide SCHEMBL30385508 0.92 TTK (0.32) TTKPTK2JAK2JAK3JAK1
Iodide SCHEMBL30386062 0.91 TP53 (0.35) TP53LMNATTKPTK2JAK2
SCHEMBL25173474 0.91 TTK (0.35) TP53LMNATTKPTK2PTK6
Iodide SCHEMBL30386017 0.90 TTK (0.35) TTKPTK2PTK6
SCHEMBL30385437 0.90 TP53 (0.40) TP53LMNAPTK2JAK2JAK3
SCHEMBL30385499 0.90 TP53 (0.38) TP53LMNATTKPTK2JAK2
SCHEMBL25173554 0.90 PTK2 (0.35) TTKPTK2PTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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