SCHEMBL30384707

SCHEMBL30384707

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NCCC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.39
▸ TTK P33981 12/20 0.38
▸ PTK2 Q05397 1/20 0.35
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ SIK1 P57059 1/20 0.32
▸ SIK2 Q9H0K1 1/20 0.32
▸ SIK3 Q9Y2K2 1/20 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
SCHEMBL22123734 0.93 PTK2 (0.40) PTK6TTKPTK2JAK2JAK1
SCHEMBL30171937 0.93 PTK2 (0.40) PTK6TTKPTK2JAK2JAK1
SCHEMBL24870930 0.92 PTK2 (0.38) PTK6TTKPTK2JAK2JAK1
SCHEMBL30172036 0.92 PTK2 (0.38) PTK6TTKPTK2JAK2JAK1
SCHEMBL25450886 0.91 TTK (0.34) PTK6TTK
SCHEMBL30385630 0.89 GPR119 (0.37) PTK6JAK2JAK1
SCHEMBL24112482 0.89 PTK6 (0.34) PTK6TTK
SCHEMBL22122917 0.88 PTK6 (0.45) PTK6TTKJAK2JAK1AURKB
SCHEMBL30385387 0.88 PTK6 (0.45) PTK6TTKJAK2JAK1AURKB
Formic Acid SCHEMBL30385529 0.88 TTK (0.33) PTK6TTK

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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