SCHEMBL30038933

SCHEMBL30038933

CCc1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n2nc(N3CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl.CCc1c(N2CCNCC2)c(=O)n2nc(N3CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL25037158 0.96 WRN (0.57) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL31499834 0.95 WRN (0.55) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL31500574 0.95 WRN (0.55) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL25037113 0.93 WRN (0.56) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL30039210 0.91 WRN (0.51) WRNALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL31387134 0.91 WRN (0.54) WRNALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL30037701 0.90 WRN (0.51) WRNALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL25037307 0.90 WRN (0.51) WRNALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL30037354 0.90 WRN (0.43) WRNALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL30038327 0.90 WRN (0.48) WRNALDH1A1GPR119MAPTACHE

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
EP-4347596-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) Novartis AG (CH) 2024-04-10 — — EP disclosed
WO-2022249060-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) NOVARTIS AG (CH) 2022-12-01 — — WO disclosed
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