SCHEMBL20352073

SCHEMBL20352073

CN1CCC([SH](C)(=O)N2CCN(c3ccc(Br)c(NC(=O)c4coc(N)n4)c3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 13/20 0.41
▸ KCNH2 Q12809 2/20 0.37
▸ HDAC3 O15379 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C18 P33260 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL24220529 0.84 PAICS (0.49) PAICSKCNH2HDAC3HDAC2IRAK4
SCHEMBL21571648 0.84 PAICS (0.42) PAICSKCNH2HDAC3HDAC2IRAK4
SCHEMBL20340330 0.82 PAICS (0.45) PAICSKCNH2HDAC3HDAC2IRAK4
SCHEMBL20339036 0.79 PAICS (0.42) PAICSKCNH2HDAC3HDAC2
SCHEMBL20352048 0.79 PAICS (0.40) PAICSKCNH2HDAC3HDAC2IRAK4
SCHEMBL24220430 0.79 PIM1 (0.44) PAICS
SCHEMBL20339057 0.77 PAICS (0.53) PAICSKCNH2HDAC3HDAC2
SCHEMBL20352146 0.77 PAICS (0.40) PAICSKCNH2HDAC3HDAC2IRAK4
SCHEMBL20339062 0.76 PAICS (0.45) PAICSKCNH2HDAC3HDAC2
SCHEMBL21571665 0.75 PAICS (0.49) PAICSKCNH2HDAC3HDAC2IRAK4

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-2018122549-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 — — WO disclosed
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