SCHEMBL24112330

SCHEMBL24112330

CN(CCN1CC[N+](C)(C)C1)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 15/20 0.39
▸ LCK P06239 4/20 0.33
▸ EGFR P00533 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ ERBB3 P21860 1/20 0.31
▸ ERBB4 Q15303 1/20 0.31
▸ AURKB Q96GD4 3/20 0.31
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ AURKA O14965 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
SCHEMBL25176442 0.96 PTK6 (0.40) PTK6LCKEGFRERBB2ERBB3
Iodide SCHEMBL28982230 0.96 PTK6 (0.39) PTK6LCKEGFRERBB2ERBB3
SCHEMBL30171867 0.90 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL22123725 0.90 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL25450726 0.88 PTK6 (0.38) PTK6LCKAURKBMAPKAPK5
SCHEMBL24112356 0.87 PTK6 (0.38) PTK6LCKAURKB
SCHEMBL28982185 0.87 PTK6 (0.39) PTK6LCKEGFR
SCHEMBL30402918 0.86 PTK6 (0.39) PTK6LCKEGFR
Trifluoroacetic Acid SCHEMBL30386113 0.85 PTK6 (0.39) PTK6LCKEGFRERBB2ERBB3
Trifluoroacetic Acid SCHEMBL28982207 0.85 PTK6 (0.36) PTK6

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
WO-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
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