SCHEMBL30385656

SCHEMBL30385656

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)N1CCC(C(=O)NCC2CCNC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.41
▸ AURKB Q96GD4 7/20 0.35
▸ LCK P06239 6/20 0.35
▸ PTK2 Q05397 3/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ TTK P33981 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
SCHEMBL22125159 1.00 PTK6 (0.41) PTK6AURKBLCKPTK2JAK2
Trifluoroacetic Acid SCHEMBL25167702 0.95 PTK6 (0.37) PTK6AURKBLCKPTK2JAK2
SCHEMBL30172036 0.91 PTK2 (0.38) PTK6PTK2JAK2JAK1TTK
SCHEMBL24870930 0.91 PTK2 (0.38) PTK6PTK2JAK2JAK1TTK
SCHEMBL24112463 0.90 PTK6 (0.36) PTK6AURKBLCK
Formic Acid SCHEMBL30386621 0.89 PTK6 (0.35) PTK6AURKBLCK
SCHEMBL24112613 0.88 PTK6 (0.39) PTK6AURKBLCKJAK2JAK1
SCHEMBL22153365 0.88 PTK6 (0.48) PTK6AURKBLCKJAK2JAK1
SCHEMBL24112643 0.88 PTK6 (0.41) PTK6AURKBLCKTTK
SCHEMBL25176078 0.87 PTK6 (0.42) PTK6AURKBLCKJAK2JAK1

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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