SCHEMBL28311397

SCHEMBL28311397

CC(C)(C)OC(=O)Nc1nc(C(=O)Nc2cc(-c3cn[nH]c3)ccc2Cl)co1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PAICS P22234 19/20 0.45
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL21579028 0.84 PAICS (0.48) PAICS
SCHEMBL29393466 0.84 PAICS (0.48) PAICS
SCHEMBL29395618 0.83 PAICS (0.47) PAICS
SCHEMBL20352007 0.83 PAICS (0.47) PAICS
SCHEMBL21579025 0.82 HDAC1 (0.45) PAICS
SCHEMBL20352047 0.82 PAICS (0.39) PAICS
SCHEMBL20351979 0.81 BACE1 (0.40) PAICS
SCHEMBL29395664 0.81 BACE1 (0.40) PAICS
SCHEMBL21579141 0.80 PAICS (0.64) PAICS
SCHEMBL20352004 0.78 PAICS (0.73) 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
CN-110114355-A Oxazole derivatives for treating cancer 生命弧度公司 2019-08-09 CN disclosed