Sugi Predict

Sugi Predict / Compounds / SCHEMBL26564249

SCHEMBL26564249

SCHEMBL26564249

CC1(C)CC(=O)C2=C(C1)Nc1ncsc1C2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 15/20 0.49
▸ GSK3B P49841 15/20 0.49
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAOA P21397 1/20 0.37

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
SCHEMBL24114187 0.77 GSK3A (0.43) GSK3AGSK3BMEN1KMT2AALDH1A1
SCHEMBL2676672 0.72 MAOA (0.59) GSK3AGSK3BMEN1KMT2AALDH1A1
SCHEMBL4579039 0.69 MAOA (0.50) MEN1KMT2AALDH1A1KDM4EGLA
SCHEMBL24114095 0.69 GSK3A (0.66) GSK3AGSK3B
SCHEMBL24114097 0.68 GSK3A (0.63) GSK3AGSK3BKMT2AALDH1A1KDM4E
SCHEMBL24114077 0.66 GSK3A (1.00) GSK3AGSK3B
SCHEMBL20529926 0.66 GSK3A (1.00) GSK3AGSK3B
SCHEMBL24114160 0.66 GSK3A (1.00) GSK3AGSK3B
SCHEMBL24114099 0.64 GSK3A (0.74) GSK3AGSK3BALDH1A1KDM4EGLA
SCHEMBL24453416 0.63 GSK3A (0.50) GSK3AGSK3B

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
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 — — EP disclosed