SCHEMBL31307772

SCHEMBL31307772

Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.75
▸ GSK3A P49840 9/20 0.75
▸ CDK1 P06493 8/20 0.68
▸ CCNB1 P14635 7/20 0.68
▸ CCNB2 O95067 6/20 0.68
▸ CCNB3 Q8WWL7 6/20 0.68
▸ CDK5 Q00535 9/20 0.60
▸ CDK5R1 Q15078 9/20 0.60
▸ ALOX5 P09917 6/20 0.60
▸ AURKB Q96GD4 5/20 0.60
▸ AURKC Q9UQB9 5/20 0.60
▸ AURKA O14965 3/20 0.60
▸ AHR P35869 1/20 0.60
▸ DYRK2 Q92630 1/20 0.60
▸ HDAC6 Q9UBN7 7/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ USP2 O75604 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TP53 P04637 2/20 0.53

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
SCHEMBL30295559 0.79 CDK1 (1.00) GSK3BGSK3ACDK1CCNB1CCNB2
SCHEMBL30278941 0.75 GSK3B (1.00) GSK3BGSK3ACDK1CCNB1CCNB2
Indirubin-3-Monoxime SCHEMBL29354191 0.70 CDK5R1 (1.00) GSK3BGSK3ACDK1CCNB1CCNB2
SCHEMBL30319828 0.68 CDK5R1 (1.00) GSK3BGSK3ACDK1CCNB1CCNB2
SCHEMBL29361130 0.67 GSK3B (1.00) GSK3BGSK3ACDK1CCNB1CCNB2
SCHEMBL30319810 0.65 AHR (0.59) GSK3BGSK3ACDK1CCNB1CCNB2
SCHEMBL29924508 0.65 GSK3B (0.72) GSK3BGSK3ACDK1CCNB1CCNB2
SCHEMBL4064946 0.64 CDK5 (0.60) GSK3BGSK3ACDK1CCNB1CCNB2
SCHEMBL29484209 0.63 GSK3B (1.00) GSK3BGSK3ACDK1CCNB1CCNB2
SCHEMBL23491105 0.62 ALKBH5 (0.42) AHRMEN1NPC1LMNAMAPT

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
US-12171821-B2 Toxoplasma gondii vaccine WISCONSIN ALUMNI RESEARCH FOUNDATION (WARF) (US) 2024-12-24 — — US disclosed
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