SCHEMBL30397448

SCHEMBL30397448

CC(C)(C)OC(=O)NC1CCCN(c2nnc3ccccn23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.49
PDE10A Q9Y233 2/20 0.48
BTK Q06187 5/20 0.47
JAK3 P52333 3/20 0.47
MET P08581 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
DPP4 P27487 2/20 0.43
AURKA O14965 3/20 0.43
PDPK1 O15530 3/20 0.43
AURKB Q96GD4 3/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
LCK P06239 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL25530547 1.00 MAP4K4 (0.49) MAP4K4PDE10ABTKJAK3MET
SCHEMBL25417601 1.00 MAP4K4 (0.49) MAP4K4PDE10ABTKJAK3MET
SCHEMBL25529006 0.94 PIM1 (0.48) MAP4K4PDE10ABTKMETPIM1
SCHEMBL25238236 0.85 MAP4K4 (0.46) MAP4K4PDE10ABTKJAK3MET
SCHEMBL25417386 0.85 MAP4K4 (0.46) MAP4K4PDE10ABTKJAK3MET
SCHEMBL25538214 0.84 BTK (0.52) MAP4K4PDE10ABTKJAK3CA1
SCHEMBL25417882 0.83 BTK (0.51) MAP4K4BTKJAK3METDPP4
SCHEMBL1976365 0.80 PIM1 (0.57) MAP4K4PDE10APIM1PIM2
SCHEMBL1976367 0.80 PIM1 (0.57) MAP4K4PDE10APIM1PIM2
SCHEMBL25530656 0.78 KMT2A (0.33) METPIM1PIM2KMT2A

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