SCHEMBL30173705

SCHEMBL30173705

CC(C)(Br)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.61
CYP2C19 P33261 1/20 0.59

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
SCHEMBL15362806 1.00 AR (0.61) ARCYP2C19
SCHEMBL9430893 0.90 AR (0.63) ARCYP2C19
SCHEMBL2222574 0.89 AR (0.65) ARCYP2C19
SCHEMBL16845620 0.88 AR (0.64) ARCYP2C19
SCHEMBL31026332 0.88 AR (0.64) ARCYP2C19
SCHEMBL2980069 0.87 AR (0.59) ARCYP2C19
SCHEMBL16705284 0.87 AR (0.60) ARCYP2C19
SCHEMBL6242747 0.86 AR (0.62) ARCYP2C19
SCHEMBL7518469 0.86 ABCC9 (0.64) ARCYP2C19
SCHEMBL4279811 0.86 AR (0.68) ARCYP2C19

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-118475567-A Heterocyclic derivative, composition and pharmaceutical application thereof 西藏海思科制药有限公司 2024-08-09 CN disclosed
CN-115697992-A Compound capable of inhibiting and degrading androgen receptor, pharmaceutical composition and pharmaceutical application thereof 四川海思科制药有限公司 2023-02-03 CN disclosed