SCHEMBL30171207

SCHEMBL30171207

C[C@](O)(CBr)C(=O)Nc1ccc(C#N)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 1.00
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
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
SCHEMBL19709826 1.00 AR (1.00) ARKCNQ3KCNQ2BRAF
SCHEMBL19709808 1.00 AR (1.00) ARKCNQ3KCNQ2BRAF
SCHEMBL28689705 0.87 AR (0.77) ARKCNQ3KCNQ2BRAF
SCHEMBL28689704 0.87 AR (0.77) ARKCNQ3KCNQ2BRAF
SCHEMBL23886422 0.82 AR (0.70) AR
SCHEMBL23886420 0.82 AR (0.70) AR
SCHEMBL28681762 0.81 AR (0.67) ARKCNQ3KCNQ2BRAF
SCHEMBL28681764 0.81 AR (0.67) ARKCNQ3KCNQ2BRAF
SCHEMBL17381295 0.78 AR (0.64) AR
SCHEMBL17381292 0.78 AR (0.68) AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115701991-A Pyrazolylpropionamide compounds and their use for treating prostate cancer 田纳西大学研究基金会 2023-02-14 CN disclosed
EP-4125846-A1 PYRAZOLYLPROPANAMIDE COMPOUNDS AND USES THEREOF FOR TREATMENT OF PROSTATE CANCER University of Tennessee Research Foundation (US) 2023-02-08 EP disclosed