SCHEMBL30397398

SCHEMBL30397398

CCOC(=O)c1ccn2c([C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.43
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BTK Q06187 1/20 0.39
PADI4 Q9UM07 4/20 0.39
ALOX15 P16050 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
FAAH O00519 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL25524768 0.92 MAPK13 (0.44) MAPK13KMT2AL3MBTL1BTKPADI4
SCHEMBL25523600 0.87 KMT2A (0.41) MAPK13KMT2AL3MBTL1BTKALOX15
SCHEMBL25541230 0.87 BTK (0.43) MAPK13KMT2AL3MBTL1BTKPADI4
SCHEMBL25524384 0.86 KMT2A (0.42) MAPK13KMT2AL3MBTL1BTKMEN1
SCHEMBL25533067 0.85 BTK (0.44) MAPK13KMT2AL3MBTL1BTK
SCHEMBL25522632 0.84 MAPK13 (0.42) MAPK13KMT2AL3MBTL1BTKMEN1
SCHEMBL25523832 0.84 MAPK13 (0.43) MAPK13KMT2AL3MBTL1BTK
SCHEMBL25529347 0.84 MAPK13 (0.43) MAPK13KMT2AL3MBTL1BTK
SCHEMBL25417460 0.83 MAPK13 (0.42) MAPK13KMT2AL3MBTL1BTKPADI4
SCHEMBL25516916 0.83 MAPK13 (0.42) MAPK13KMT2AL3MBTL1BTKPADI4

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