SCHEMBL30984046

SCHEMBL30984046

Cc1nc(CNc2ncnc(OC3(C)CC3)c2[N+](=O)[O-])cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CLK1 P49759 2/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
HTT P42858 6/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
PDE10A Q9Y233 1/20 0.37
DCTPP1 Q9H773 1/20 0.36
LMNA P02545 5/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35

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
SCHEMBL30984084 0.80 CA1 (0.44) CA1CA2CA7CA13HTT
SCHEMBL31269514 0.80 CA1 (0.44) CA1CA2CA7CA13HTT
SCHEMBL30983910 0.79 PDE10A (0.46) CA1CA2CA7CA13CLK1
SCHEMBL30983876 0.79 HTT (0.59) CA1CA2CA7CA13HTT
SCHEMBL30984080 0.77 CA1 (0.42) CA1CA2CA7CA13HTT
SCHEMBL30984020 0.76 CA1 (0.59) CA1CA2CA7CA13HTT
SCHEMBL30984100 0.76 CA1 (0.43) CA1CA2CA7CA13CLK2
SCHEMBL31269026 0.74 CA1 (0.46) CA1CA2CA7CA13CLK4
SCHEMBL31268881 0.74 KMT2A (0.45) CA1CA2CA7CA13HTT
SCHEMBL30983869 0.74 CA1 (0.42) CA1CA2CA7CA13HTT

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-4689155-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS Astrazeneca AB (SE) 2026-02-11 EP disclosed
EP-4630410-A1 POLQ INHIBITORS Astrazeneca AB (SE) 2025-10-15 EP disclosed
WO-2024201368-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS ASTRAZENECA AB (SE) 2024-10-03 WO disclosed
WO-2024121753-A1 POLQ INHIBITORS ASTRAZENECA AB (SE) 2024-06-13 WO disclosed