SCHEMBL30397394

SCHEMBL30397394

CN(C)S(=O)(=O)c1ccn2c([C@H]3CCC[C@@H](N)C3)nnc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
CDK2 P24941 4/20 0.37
MAPK13 O15264 4/20 0.37
GSK3B P49841 3/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 3/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HSD17B10 Q99714 1/20 0.30
USP30 Q70CQ3 1/20 0.30
ADORA2A P29274 3/20 0.30
DPP4 P27487 1/20 0.30
PREP P48147 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL30398306 0.84 GRM2 (0.38) GRM2MAPK13
SCHEMBL30396233 0.84 GRM2 (0.38) GRM2MAPK13
SCHEMBL30397338 0.79 SMN1; SMN2 (0.43) GRM2KMT2AALDH1A1MEN1
SCHEMBL30397943 0.77 MAPK13 (0.41) GRM2MAPK13ADORA2A
SCHEMBL30397669 0.77 MAPK13 (0.41) GRM2MAPK13ADORA2A
SCHEMBL25526353 0.77 GRM2 (0.43) GRM2MAPK13
SCHEMBL25523929 0.76 GRM2 (0.40) GRM2MAPK13ALDH1A1ADORA2A
SCHEMBL25521381 0.74 GRM2 (0.40) GRM2MAPK13DRD2DRD3
SCHEMBL25522679 0.74 GRM2 (0.40) GRM2MAPK13
SCHEMBL30397938 0.73 MAPK13 (0.42) GRM2MAPK13

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