SCHEMBL25529006

SCHEMBL25529006

CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc3ccccn23)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
PDE10A Q9Y233 1/20 0.47
BTK Q06187 1/20 0.44
SUV39H2 Q9H5I1 7/20 0.44
MET P08581 1/20 0.44
CTSK P43235 2/20 0.44
KCNA3 P22001 1/20 0.42
MAP4K4 O95819 2/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
KDM4D Q6B0I6 1/20 0.42

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 0.94 MAP4K4 (0.49) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL25417601 0.94 MAP4K4 (0.49) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL30397448 0.94 MAP4K4 (0.49) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL25417386 0.79 MAP4K4 (0.46) PDE10ABTKSUV39H2METMAP4K4
SCHEMBL25238236 0.79 MAP4K4 (0.46) PDE10ABTKSUV39H2METMAP4K4
SCHEMBL25538214 0.78 BTK (0.52) CKS1BSKP1SKP2PDE10ABTK
SCHEMBL23500781 0.77 CKS1B (0.56) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL15222937 0.77 CKS1B (0.56) PIM1PIM3PIM2CKS1BSKP1
SCHEMBL25417882 0.77 BTK (0.51) BTKSUV39H2METCTSKMAP4K4
SCHEMBL4827630 0.75 GPR119 (0.60) PIM1PIM3PIM2CKS1BSKP1

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