SCHEMBL30385387

SCHEMBL30385387

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NCCC(=O)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.45
▸ AURKB Q96GD4 7/20 0.39
▸ LCK P06239 6/20 0.39
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ TTK P33981 2/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34

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
SCHEMBL22122917 1.00 PTK6 (0.45) PTK6AURKBLCKJAK2JAK1
Trifluoroacetic Acid SCHEMBL30172047 0.96 PTK6 (0.43) PTK6AURKBLCKJAK2JAK1
SCHEMBL22142746 0.93 PTK6 (0.47) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL28982245 0.90 JAK1 (0.37) PTK6JAK2JAK1
SCHEMBL25450862 0.90 PTK6 (0.40) PTK6AURKBLCKJAK2JAK1
SCHEMBL32675698 0.90 PTK6 (0.40) PTK6AURKBLCKJAK2JAK1
SCHEMBL25450905 0.90 PTK6 (0.36) PTK6AURKBLCKTTK
SCHEMBL32675687 0.90 PTK6 (0.36) PTK6AURKBLCKTTK
SCHEMBL22142817 0.89 PTK6 (0.44) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22139163 0.89 PTK6 (0.44) PTK6AURKBLCKTTKMAPKAPK5

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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