SCHEMBL31270593

SCHEMBL31270593

CCc1cc(=O)n2nc(-c3ccnc(OC)c3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.41
▸ KDR P35968 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KCNT1 Q5JUK3 1/20 0.37
▸ MDM2 Q00987 1/20 0.36
▸ TP53 P04637 5/20 0.36
▸ GAA P10253 2/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ MET P08581 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ SORT1 Q99523 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SRPK1 Q96SB4 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
SCHEMBL31270578 0.86 WRN (0.48) WRNKDRACHEMAPTKCNT1
SCHEMBL31047165 0.86 ACHE (0.47) WRNACHEMAPTTP53GAA
Hydrochloric Acid SCHEMBL31270456 0.82 WRN (0.53) WRNKDRACHEMAPTKCNT1
SCHEMBL25035250 0.81 ACHE (0.44) WRNACHEMAPTTP53GAA
SCHEMBL30037179 0.81 ACHE (0.44) WRNACHEMAPTTP53GAA
SCHEMBL31499632 0.81 WRN (0.45) WRNACHEMAPTMDM2TP53
SCHEMBL30984234 0.79 WRN (0.46) WRNACHEMAPTTP53SMN1; SMN2
SCHEMBL31295862 0.79 WRN (0.46) WRNACHEMAPTGAANTRK1
SCHEMBL31295764 0.78 WRN (0.49) WRNACHEMAPTSMN1; SMN2TSHR
SCHEMBL25036852 0.78 WRN (0.61) WRNACHEMAPTGAASMN1; SMN2

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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