SCHEMBL27413402

SCHEMBL27413402

CC[C@H](Nc1ccc(=N)n(C(=N)C(F)(F)F)n1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ FAAH O00519 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30

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
SCHEMBL31275381 0.70 ALDH1A1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25702894 0.67 MOGAT2 (0.32) —
SCHEMBL27412704 0.66 HDAC6 (0.42) JAK2JAK3PSEN1PSEN2APH1B
SCHEMBL8057713 0.65 PSEN1 (0.44) JAK2JAK3PSEN1PSEN2APH1B
SCHEMBL17723351 0.64 PSEN1 (0.43) JAK2JAK3PSEN1PSEN2APH1B
SCHEMBL5910308 0.60 MEN1 (0.45) HDAC6MEN1KMT2AFAAHCYP2D6
SCHEMBL27745176 0.60 MEN1 (0.45) HDAC6MEN1KMT2AFAAHCYP2D6
SCHEMBL22473565 0.60 MEN1 (0.45) HDAC6MEN1KMT2AFAAHCYP2D6
SCHEMBL27745218 0.60 MEN1 (0.45) HDAC6MEN1KMT2AFAAHCYP2D6
SCHEMBL18355944 0.59 MEN1 (0.42) HDAC6MEN1KMT2AFAAHCYP2D6

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
WO-2024137968-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE CAPULUS THERAPEUTICS, LLC (US) 2024-06-27 — — WO disclosed
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