SCHEMBL31387138

SCHEMBL31387138

CCc1c(N2CCNCC2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.42
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ P2RX3 P56373 2/20 0.31
▸ USP28 Q96RU2 1/20 0.30
▸ USP25 Q9UHP3 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ BACE1 P56817 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
SCHEMBL30037944 0.90 WRN (0.41) WRNP2RX3IRAK4
SCHEMBL25035147 0.90 WRN (0.41) WRNP2RX3IRAK4
SCHEMBL25037130 0.88 WRN (0.44) WRNIRAK4
SCHEMBL31384779 0.87 WRN (0.54) WRNMAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL31270598 0.87 WRN (0.53) WRNMAPK8MAPK9MAPK10
SCHEMBL30037511 0.86 WRN (0.48) WRNMAPK8MAPK9MAPK10
SCHEMBL25036821 0.86 WRN (0.48) WRNMAPK8MAPK9MAPK10
SCHEMBL31394422 0.86 WRN (0.41) WRNIRAK4
SCHEMBL25037043 0.85 WRN (0.39) WRNP2RX3IRAK4
SCHEMBL30038248 0.85 WRN (0.39) WRNP2RX3IRAK4

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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