SCHEMBL31270578

SCHEMBL31270578

CCc1c(Br)c(=O)n2nc(-c3ccnc(OC)c3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.48
▸ MAPT P10636 4/20 0.38
▸ KDR P35968 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MET P08581 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ KCNT1 Q5JUK3 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ TP53 P04637 4/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ SRPK1 Q96SB4 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ MAPK9 P45984 1/20 0.33

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
Hydrochloric Acid SCHEMBL31270456 0.88 WRN (0.53) WRNMAPTKDRACHEMET
SCHEMBL31047182 0.87 WRN (0.50) WRNMAPTACHENTRK1TP53
SCHEMBL31270593 0.86 WRN (0.41) WRNMAPTKDRACHEMET
SCHEMBL31270642 0.86 WRN (0.55) WRNMAPTKDRACHESRPK1
Hydrochloric Acid SCHEMBL31270581 0.85 WRN (0.51) WRNMAPTKDRACHEMET
SCHEMBL31270596 0.83 WRN (0.58) WRNMAPTKDRACHEKCNT1
SCHEMBL31270538 0.83 WRN (0.50) WRNMAPTACHEHDAC1MDM2
SCHEMBL31499786 0.82 WRN (0.51) WRNMAPTACHETP53MDM2
SCHEMBL31295761 0.80 WRN (0.53) WRNMAPTACHENTRK1AKR1B1
SCHEMBL30984140 0.80 WRN (0.53) WRNMAPTACHETP53AKR1B1

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-2024220887-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINONE WRN INHIBITORS NIMBUS WADJET, INC. (US) 2024-10-24 — — WO disclosed
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