SCHEMBL31270642

SCHEMBL31270642

CCc1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n2nc(-c3ccnc(OC)c3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.55
▸ SRPK1 Q96SB4 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ CFTR P13569 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ SYK P43405 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ ALK Q9UM73 2/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ KDR P35968 1/20 0.32

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
SCHEMBL31270538 0.91 WRN (0.50) WRNSRPK1ACHEMAPTALDH1A1
SCHEMBL31394433 0.89 WRN (0.55) WRNTBK1GPR119CFTRACHE
Hydrochloric Acid SCHEMBL31270456 0.89 WRN (0.53) WRNSRPK1ACHEMAPTALDH1A1
SCHEMBL31270596 0.88 WRN (0.58) WRNSRPK1ACHEMAPTALDH1A1
SCHEMBL31394740 0.88 WRN (0.57) WRNGPR119ACHEMAPTALDH1A1
SCHEMBL31394560 0.87 WRN (0.59) WRNGPR119ACHEMAPTALDH1A1
SCHEMBL31393912 0.87 WRN (0.55) WRNGPR119ACHEMAPTALDH1A1
SCHEMBL31499645 0.87 WRN (0.54) WRNGPR119ACHEMAPTALDH1A1
SCHEMBL31057829 0.87 WRN (0.55) WRNGPR119ACHEMAPTALDH1A1
SCHEMBL31057843 0.87 WRN (0.55) WRNGPR119ACHEMAPTALDH1A1

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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