SCHEMBL22153365

SCHEMBL22153365

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)N1CCC(C(=O)N2CCNCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 19/20 0.48
▸ AURKB Q96GD4 8/20 0.41
▸ LCK P06239 8/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39

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
SCHEMBL25173549 0.93 PTK6 (0.40) PTK6AURKBLCKJAK2JAK1
SCHEMBL25167695 0.93 PTK6 (0.40) PTK6AURKBLCKJAK2JAK1
SCHEMBL25173592 0.92 PTK6 (0.40) PTK6AURKBLCKJAK2JAK1
SCHEMBL25176078 0.92 PTK6 (0.42) PTK6AURKBLCKJAK2JAK1
SCHEMBL22124387 0.92 PTK6 (0.41) PTK6AURKBLCKJAK2JAK1
SCHEMBL25170424 0.91 PTK6 (0.41) PTK6AURKBLCKJAK2JAK1
SCHEMBL22124270 0.90 PTK6 (0.40) PTK6AURKBLCKJAK2JAK1
SCHEMBL30386118 0.90 PTK6 (0.38) PTK6JAK2JAK1
SCHEMBL25170405 0.90 PTK6 (0.38) PTK6JAK2JAK1
SCHEMBL30386112 0.90 PTK6 (0.38) PTK6JAK2JAK1

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-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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