SCHEMBL30037683

SCHEMBL30037683

Cc1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1.Cc1c(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.45
▸ TRPV1 Q8NER1 3/20 0.34
▸ HDAC1 Q13547 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL25035193 0.96 WRN (0.47) WRNTRPV1HDAC1MAPTPIK3CA
SCHEMBL30039230 0.93 WRN (0.52) WRNTRPV1HDAC1
SCHEMBL30037825 0.91 WRN (0.51) WRNKMT2AMAPTPIK3CAMTOR
SCHEMBL25035198 0.91 TRPV1 (0.40) TRPV1HDAC1KMT2AMAPTKDM4E
SCHEMBL25036786 0.90 WRN (0.54) WRNTRPV1HDAC1KMT2AMAPT
SCHEMBL27379214 0.89 WRN (0.50) WRNTRPV1KMT2AMAPTPIK3CA
SCHEMBL25036831 0.88 WRN (0.54) WRNKMT2AMAPTMTORKDM4E
SCHEMBL30038300 0.86 WRN (0.51) WRNTRPV1
SCHEMBL30038140 0.84 WRN (0.58) WRNMAPTPIK3CAMTORKDM4E
SCHEMBL30037580 0.84 WRN (0.51) WRNKMT2AMAPTPIK3CAMTOR

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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