SCHEMBL31387271

SCHEMBL31387271

[2H]C1([2H])N(C(=O)c2ncnc(C)c2O)C([2H])([2H])C([2H])([2H])N(c2c(CC)n(CC(=O)Nc3ccc(C(F)(F)F)cc3Cl)c3nc(Br)nn3c2=O)C1([2H])[2H]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.67
▸ ACHE P22303 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ MAPK9 P45984 1/20 0.30
▸ MAPK10 P53779 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
SCHEMBL31270575 0.93 WRN (0.77) WRNACHEALDH1A1MEN1HTT
Hro-761 SCHEMBL30038731 0.87 WRN (0.88) WRNACHE
SCHEMBL31394201 0.87 WRN (0.64) WRNACHEALDH1A1MEN1HTT
SCHEMBL25035304 0.87 WRN (0.68) WRNALDH1A1KMT2ARXFP1TSHR
SCHEMBL30038371 0.87 WRN (0.68) WRNALDH1A1KMT2ARXFP1TSHR
SCHEMBL31394632 0.87 WRN (0.67) WRNACHEALDH1A1MEN1HTT
SCHEMBL31387357 0.86 WRN (0.67) WRNTSHRKDM4EMAPTMAPK8
SCHEMBL31499664 0.86 WRN (0.77) WRNACHEALDH1A1MEN1HTT
SCHEMBL31387255 0.85 WRN (0.62) WRNACHEALDH1A1MEN1HTT
SCHEMBL31387220 0.85 WRN (0.62) WRNACHEALDH1A1MEN1HTT

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-2024255765-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-12-19 — — WO disclosed
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