SCHEMBL20352046

SCHEMBL20352046

CN(C)CCC(=O)N1CCC(n2cc(-c3ccc(Cl)c(NC(=O)C4COC(N)=N4)c3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 14/20 0.49
▸ MET P08581 5/20 0.41
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL20351938 0.83 PAICS (0.64) PAICSMETGSK3BDYRK1A
SCHEMBL21571620 0.81 PAICS (0.73) PAICS
SCHEMBL20351947 0.80 PAICS (0.52) PAICSMET
SCHEMBL20340347 0.77 PAICS (0.70) PAICS
SCHEMBL24247856 0.75 PAICS (0.69) PAICS
SCHEMBL20338912 0.74 PAICS (0.72) PAICS
SCHEMBL21579051 0.72 PAICS (0.50) PAICSWNT1GSK3BDYRK1A
SCHEMBL24247969 0.72 PAICS (0.48) PAICSMETWNT1GSK3BDYRK1A
SCHEMBL20352022 0.71 PAICS (0.46) PAICSMET
SCHEMBL21571622 0.68 PAICS (0.70) PAICS

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-2018122550-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 — — WO disclosed
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