SCHEMBL30397971

SCHEMBL30397971

NC(=O)O[C@@H]1CCC[C@H](c2nnc3cc(S(=O)(=O)C4CC4)ccn23)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.36
GRM2 Q14416 1/20 0.34
LNPEP Q9UIQ6 1/20 0.30

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
SCHEMBL30397831 0.85 SMN1; SMN2 (0.39)
SCHEMBL30398306 0.82 GRM2 (0.38) MAPK13GRM2
SCHEMBL30396233 0.82 GRM2 (0.38) MAPK13GRM2
SCHEMBL30397294 0.80 MAPK13 (0.37) MAPK13GRM2
SCHEMBL30397944 0.80 MAPK13 (0.41) MAPK13GRM2
SCHEMBL30397775 0.76 MAPK13 (0.40) MAPK13
SCHEMBL30397873 0.73 MAPK14 (0.35)
SCHEMBL30398426 0.71 KDM5A (0.40)
SCHEMBL30397394 0.68 GRM2 (0.37) MAPK13GRM2
SCHEMBL30397338 0.67 SMN1; SMN2 (0.43) GRM2

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed