SCHEMBL28200538

SCHEMBL28200538

CCc1ccc(C#N)c(C(F)(F)F)c1N

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 0.42
PGR P06401 6/20 0.40

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
SCHEMBL14286310 0.81 AR (0.54) ARPGR
SCHEMBL2968418 0.77 AR (0.42) ARPGR
SCHEMBL31131415 0.76 AR (0.46) ARPGR
SCHEMBL28200532 0.74 AR (0.41) AR
SCHEMBL6639638 0.72 ALDH1A1 (0.39) AR
SCHEMBL25329498 0.71 AR (0.43) ARPGR
SCHEMBL13199475 0.71 AR (0.46) ARPGR
SCHEMBL31131407 0.71 AR (0.43) ARPGR
SCHEMBL17604488 0.71 KDM4E (0.42) AR
SCHEMBL2968415 0.71 AR (0.40) ARPGR

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-105339355-B Novel CYP17 inhibitor/antiandrogen 奥赖恩公司 2018-02-27 CN claimed
CN-105339355-B Novel CYP17 inhibitor/antiandrogen 奥赖恩公司 2018-02-27 CN disclosed