SCHEMBL25529347

SCHEMBL25529347

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.43
BTK Q06187 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
JAK1 P23458 4/20 0.35
JAK2 O60674 2/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
CDK9 P50750 1/20 0.35
KIT P10721 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAP4K4 O95819 2/20 0.34
DRD2 P14416 1/20 0.34
SUV39H2 Q9H5I1 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
SCHEMBL25523832 1.00 MAPK13 (0.43) MAPK13BTKKMT2AL3MBTL1KDM1A
SCHEMBL25533067 0.89 BTK (0.44) MAPK13BTKKMT2AL3MBTL1KDM1A
SCHEMBL25524768 0.88 MAPK13 (0.44) MAPK13BTKKMT2AL3MBTL1KDM1A
SCHEMBL25516916 0.88 MAPK13 (0.42) MAPK13BTKKMT2AL3MBTL1SUV39H2
SCHEMBL25521406 0.88 MAPK13 (0.42) MAPK13BTKKMT2AL3MBTL1KDM1A
SCHEMBL25417460 0.88 MAPK13 (0.42) MAPK13BTKKMT2AL3MBTL1SUV39H2
SCHEMBL25522632 0.87 MAPK13 (0.42) MAPK13BTKKMT2AL3MBTL1
SCHEMBL30397611 0.87 MAPK13 (0.44) MAPK13BTKKMT2AL3MBTL1KDM1A
SCHEMBL30397932 0.86 BTK (0.43) MAPK13BTKKMT2AL3MBTL1KDM1A
SCHEMBL25528503 0.86 MAPK13 (0.41) MAPK13BTKKMT2AL3MBTL1KDM1A

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