SCHEMBL30386185

SCHEMBL30386185

CN(CCC1CCN(C(C)(C)C)CC1)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 19/20 0.40
▸ LCK P06239 10/20 0.33
▸ AURKB Q96GD4 8/20 0.32
▸ TTK P33981 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
SCHEMBL25176394 0.92 PTK6 (0.39) PTK6LCK
SCHEMBL30171624 0.92 PTK6 (0.44) PTK6LCKAURKBTTK
SCHEMBL22123122 0.92 PTK6 (0.44) PTK6LCKAURKBTTK
SCHEMBL25450726 0.91 PTK6 (0.38) PTK6LCKAURKBTTK
SCHEMBL24112356 0.89 PTK6 (0.38) PTK6LCKAURKBTTK
Trifluoroacetic Acid SCHEMBL28982207 0.88 PTK6 (0.36) PTK6TTK
SCHEMBL22123725 0.85 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL30171867 0.85 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL25176442 0.84 PTK6 (0.40) PTK6LCKAURKB
SCHEMBL28982185 0.84 PTK6 (0.39) PTK6LCK

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-4161931-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-02-18 — — EP disclosed
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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