SCHEMBL30396233

SCHEMBL30396233

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
MAPK13 O15264 4/20 0.36
HRH4 Q9H3N8 2/20 0.32
MAPK1 P28482 1/20 0.31
PIK3CB P42338 2/20 0.30
PRKDC P78527 2/20 0.30
ATM Q13315 2/20 0.30
ATR Q13535 2/20 0.30
ATRIP Q8WXE1 2/20 0.30
MTOR P42345 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 1.00 GRM2 (0.38) GRM2MAPK13HRH4MAPK1PIK3CB
SCHEMBL30397394 0.84 GRM2 (0.37) GRM2MAPK13
SCHEMBL30397338 0.83 SMN1; SMN2 (0.43) GRM2MAPK1
SCHEMBL30397971 0.82 MAPK13 (0.36) GRM2MAPK13
SCHEMBL25526353 0.78 GRM2 (0.43) GRM2MAPK13MAPK1
SCHEMBL30397943 0.77 MAPK13 (0.41) GRM2MAPK13
SCHEMBL30397669 0.77 MAPK13 (0.41) GRM2MAPK13
SCHEMBL25522679 0.75 GRM2 (0.40) GRM2MAPK13
SCHEMBL25523929 0.75 GRM2 (0.40) GRM2MAPK13
SCHEMBL25521381 0.75 GRM2 (0.40) GRM2MAPK13MAPK1

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