SCHEMBL20352176

SCHEMBL20352176

Nc1nc(C(=O)NC2=CC(N3CCN(S(=O)(=O)C4CCNCC4)CC3)CC=C2Br)co1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 3/20 0.41
▸ PAICS P22234 16/20 0.40
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL24220469 0.77 SMYD3 (0.41) SMYD3PAICS
SCHEMBL20339062 0.76 PAICS (0.45) SMYD3PAICS
SCHEMBL21571669 0.75 SMYD3 (0.44) SMYD3PAICS
SCHEMBL21571660 0.72 PAICS (0.45) SMYD3PAICS
SCHEMBL20352177 0.68 SMYD3 (0.33) SMYD3
SCHEMBL20340330 0.67 PAICS (0.45) SMYD3PAICS
SCHEMBL21571648 0.64 PAICS (0.42) PAICS
SCHEMBL20352164 0.63 PAICS (0.54) PAICS
SCHEMBL19710279 0.59 SMYD3 (1.00) SMYD3PAICS
SCHEMBL20352035 0.59 PAICS (0.67) 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-2018122549-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 — — WO disclosed
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