SCHEMBL31458616

SCHEMBL31458616

Cc1nn(C(=O)OC(C)(C)C)cc1-c1ccn2nc(NC3CCOCC3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.39
ROCK2 O75116 1/20 0.35
MAPK13 O15264 1/20 0.34
CSNK2A1 P68400 2/20 0.34
TTK P33981 1/20 0.34
BTK Q06187 2/20 0.33
CSNK2A2 P19784 1/20 0.33
PIM1 P11309 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
MAPK14 Q16539 1/20 0.33
PIK3CG P48736 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
SCHEMBL31458620 0.76 PIM1 (0.37) MAPK1MAPK13TTKPIM1
SCHEMBL31458619 0.76 PIM1 (0.37) MAPK1MAPK13TTKPIM1
SCHEMBL31458578 0.69 CDK2 (0.44) MAPK1PIM1
SCHEMBL31458626 0.68 AHR (0.43) MAPK1PIM1IRAK4
SCHEMBL31458604 0.67 MAPK8 (0.36) MAPK1PIM1
SCHEMBL13425969 0.66 SCD (0.42)
SCHEMBL30841980 0.66 JAK1 (0.39) BTKJAK2
SCHEMBL31264188 0.64 CCRL2 (0.39) ROCK2BTKPIM1JAK2JAK3
SCHEMBL31458748 0.63 MAPK1 (0.35) MAPK1PIM1IRAK4
SCHEMBL31264248 0.63 SUV39H2 (0.39) BTKPIM1IRAK4JAK2

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-2025096061-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed