SCHEMBL30397669

SCHEMBL30397669

CP(C)(=O)c1ccn2c(C3CCCC(N)C3)nnc2c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.41
GRM2 Q14416 1/20 0.40
BTK Q06187 1/20 0.31
ADORA2A P29274 4/20 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
SCHEMBL30397943 1.00 MAPK13 (0.41) MAPK13GRM2BTKADORA2A
SCHEMBL30397944 0.82 MAPK13 (0.41) MAPK13GRM2
SCHEMBL25526353 0.80 GRM2 (0.43) MAPK13GRM2
SCHEMBL25523929 0.80 GRM2 (0.40) MAPK13GRM2ADORA2A
SCHEMBL30397394 0.77 GRM2 (0.37) MAPK13GRM2ADORA2A
SCHEMBL25522679 0.77 GRM2 (0.40) MAPK13GRM2BTK
SCHEMBL25521381 0.77 GRM2 (0.40) MAPK13GRM2
SCHEMBL30396233 0.77 GRM2 (0.38) MAPK13GRM2
SCHEMBL30397938 0.77 MAPK13 (0.42) MAPK13GRM2BTK
SCHEMBL30398306 0.77 GRM2 (0.38) MAPK13GRM2

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