SCHEMBL30397273

SCHEMBL30397273

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](c2nnc3ccc(B(O)O)cn23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MET P08581 3/20 0.36
JAK1 P23458 4/20 0.35
JAK2 O60674 2/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
MAP4K4 O95819 2/20 0.34
DRD2 P14416 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
MAPK13 O15264 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
CDK9 P50750 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33

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
SCHEMBL25523570 0.87 BTK (0.44) BTKKMT2AL3MBTL1METJAK1
SCHEMBL25517566 0.82 KMT2A (0.49) BTKKMT2AL3MBTL1JAK1JAK2
SCHEMBL25523600 0.82 KMT2A (0.41) BTKKMT2AL3MBTL1METJAK1
SCHEMBL25529477 0.81 MET (0.39) BTKKMT2AL3MBTL1METMAPK13
SCHEMBL25524581 0.81 MET (0.43) BTKKMT2AL3MBTL1METJAK1
SCHEMBL30397426 0.81 USP30 (0.41) BTKKMT2AL3MBTL1METJAK1
SCHEMBL25525729 0.80 BTK (0.43) BTKKMT2AL3MBTL1CA1CA2
SCHEMBL25529454 0.80 BTK (0.40) BTKKMT2AL3MBTL1METMAPK13
SCHEMBL25540956 0.79 BTK (0.42) BTKKMT2AL3MBTL1METMAP4K4
SCHEMBL25533067 0.79 BTK (0.44) BTKKMT2AL3MBTL1JAK1JAK2

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