SCHEMBL28689705

SCHEMBL28689705

CC(O)(CN)C(=O)Nc1ccc(C#N)nc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.77
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
CHEK1 O14757 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL28689704 1.00 AR (0.77) ARKCNQ3KCNQ2CHEK1BRAF
SCHEMBL19709826 0.87 AR (1.00) ARKCNQ3KCNQ2BRAF
SCHEMBL19709808 0.87 AR (1.00) ARKCNQ3KCNQ2BRAF
SCHEMBL30171207 0.87 AR (1.00) ARKCNQ3KCNQ2BRAF
SCHEMBL28681764 0.81 AR (0.67) ARKCNQ3KCNQ2BRAF
SCHEMBL28681762 0.81 AR (0.67) ARKCNQ3KCNQ2BRAF
SCHEMBL17381292 0.78 AR (0.68) AR
SCHEMBL17381295 0.78 AR (0.64) AR
SCHEMBL17603205 0.77 AR (0.63) ARKCNQ3KCNQ2CHEK1BRAF
SCHEMBL31680457 0.75 AR (0.59) ARKCNQ3KCNQ2CHEK1BRAF

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-108558760-B Aromatic amide compounds, preparation method and application thereof 杨国宏 2021-12-03 CN disclosed