SCHEMBL31458624

SCHEMBL31458624

Cc1nn(C2CCCCO2)c(C)c1-c1ccn2nc(N[C@H]3CCOC[C@H]3F)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
ABL1 P00519 1/20 0.32
GAA P10253 1/20 0.30
PIK3CG P48736 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL31458682 0.79 IRAK4 (0.35) MAPK1IRAK4ABL1PIK3CGCREBBP
SCHEMBL31458725 0.78 GAA (0.37) GAAPIK3CGCREBBP
SCHEMBL25226135 0.67 CD274 (0.39) MAPK1IRAK4
SCHEMBL3077291 0.63 AR (0.46) GAA
SCHEMBL3301263 0.60 JAK2 (0.43) GAA
SCHEMBL31458620 0.60 PIM1 (0.37) MAPK1
SCHEMBL31458619 0.60 PIM1 (0.37) MAPK1
SCHEMBL21797087 0.60 RXRA (0.41) ABL1
SCHEMBL17675662 0.59 GAA (0.42) GAA
SCHEMBL21152701 0.59 GAA (0.51) GAA

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