SCHEMBL25524768

SCHEMBL25524768

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](c2nnc3cc(C(=O)OC(C)(C)C)ccn23)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.44
BTK Q06187 2/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PADI4 Q9UM07 4/20 0.38
JAK1 P23458 3/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
KIT P10721 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
CDK9 P50750 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL30397398 0.92 MAPK13 (0.43) MAPK13BTKKMT2AL3MBTL1PADI4
SCHEMBL25541230 0.91 BTK (0.43) MAPK13BTKKMT2AL3MBTL1PADI4
SCHEMBL25533067 0.89 BTK (0.44) MAPK13BTKKMT2AL3MBTL1JAK1
SCHEMBL25529347 0.88 MAPK13 (0.43) MAPK13BTKKMT2AL3MBTL1JAK1
SCHEMBL25523832 0.88 MAPK13 (0.43) MAPK13BTKKMT2AL3MBTL1JAK1
SCHEMBL25417460 0.87 MAPK13 (0.42) MAPK13BTKKMT2AL3MBTL1PADI4
SCHEMBL25521406 0.87 MAPK13 (0.42) MAPK13BTKKMT2AL3MBTL1JAK1
SCHEMBL25516916 0.87 MAPK13 (0.42) MAPK13BTKKMT2AL3MBTL1PADI4
SCHEMBL30397611 0.86 MAPK13 (0.44) MAPK13BTKKMT2AL3MBTL1PADI4
SCHEMBL25522632 0.86 MAPK13 (0.42) MAPK13BTKKMT2AL3MBTL1

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