SCHEMBL31458719

SCHEMBL31458719

CCOC(C)n1cc(-c2ncn3nc(N[C@H]4CCOC[C@H]4F)nc3c2N2CC3CC2C3)cn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL31424004 0.92 JAK2 (0.35) JAK2JAK1TYK2JAK3
SCHEMBL31458740 0.87 JAK2 (0.38) JAK2JAK1TYK2JAK3CD274
SCHEMBL25272284 0.85 JAK2 (0.36) JAK2JAK1TYK2JAK3CD274
SCHEMBL31458716 0.85 JAK2 (0.34) JAK2JAK1TYK2JAK3CD274
SCHEMBL31458686 0.83 JAK2 (0.35) JAK2JAK1TYK2JAK3CD274
SCHEMBL31423954 0.83 JAK2 (0.39) JAK2JAK1TYK2JAK3CD274
SCHEMBL31458628 0.83 PRKDC (0.30)
SCHEMBL31423924 0.82 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL31423881 0.82 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL31423987 0.82 JAK2 (0.38) JAK2JAK1TYK2JAK3CD274

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