SCHEMBL30037580

SCHEMBL30037580

Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1.Cc1c(N2CCNCC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.51
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CETP P11597 4/20 0.35
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ MTOR P42345 5/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ PIK3CA P42336 3/20 0.31

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
SCHEMBL25036831 0.96 WRN (0.54) WRNMAPTALDH1A1ESR2SMN1; SMN2
SCHEMBL30038998 0.93 WRN (0.58) WRNMAPTALDH1A1ESR2SMN1; SMN2
SCHEMBL30037825 0.93 WRN (0.51) WRNMAPTALDH1A1ESR2SMN1; SMN2
SCHEMBL25037211 0.93 WRN (0.52) WRNMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL30039018 0.92 WRN (0.50) WRNMAPTALDH1A1ESR2SMN1; SMN2
SCHEMBL25035182 0.89 WRN (0.61) WRNMAPTALDH1A1ESR2SMN1; SMN2
SCHEMBL25037133 0.89 WRN (0.41) WRNMAPTALDH1A1ESR2JAK1
SCHEMBL30037286 0.89 WRN (0.51) WRNMAPTALDH1A1ESR2NOD2
SCHEMBL27379356 0.88 WRN (0.56) WRNMAPTLMNAHTTCETP
SCHEMBL25035193 0.87 WRN (0.47) WRNMAPTALDH1A1ESR2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619104-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS Novartis AG (CH) 2025-09-24 — — EP disclosed
WO-2024105553-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS NOVARTIS AG (CH) 2024-05-23 — — WO disclosed
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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