SCHEMBL31458686

SCHEMBL31458686

CCOC(C)n1cc(-c2ncn3nc(N[C@H]4CCOC[C@H]4F)nc3c2OCC(F)(F)F)cn1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
CD274 Q9NZQ7 1/20 0.32
MAPK1 P28482 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
SCHEMBL31423934 0.91 JAK2 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL25272284 0.91 JAK2 (0.36) JAK2JAK1TYK2JAK3CD274
SCHEMBL31458740 0.88 JAK2 (0.38) JAK2JAK1TYK2JAK3CD274
SCHEMBL31423960 0.87 JAK2 (0.38) JAK2JAK1TYK2JAK3CD274
SCHEMBL31458719 0.83 JAK2 (0.34) JAK2JAK1TYK2JAK3CD274
SCHEMBL31458674 0.82 JAK2 (0.34) JAK2JAK1TYK2JAK3CD274
SCHEMBL31458716 0.82 JAK2 (0.34) JAK2JAK1TYK2JAK3CD274
SCHEMBL31458611 0.82 PIK3CA (0.34) MAPK1
SCHEMBL31423998 0.82 JAK2 (0.38) JAK2JAK1TYK2JAK3CD274
SCHEMBL25422687 0.79 JAK2 (0.35) 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