SCHEMBL31458740

SCHEMBL31458740

CCOC(C)n1cc(-c2ncn3nc(N[C@H]4CCOC[C@H]4F)nc3c2Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
MAPK1 P28482 10/20 0.35
CD274 Q9NZQ7 1/20 0.34
CDK4 P11802 5/20 0.33
CCND1 P24385 5/20 0.33
CCND3 P30281 5/20 0.33
CDK6 Q00534 5/20 0.33
LRRK2 Q5S007 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
SCHEMBL31423917 0.90 JAK2 (0.39) JAK2JAK1TYK2JAK3CD274
SCHEMBL25272284 0.90 JAK2 (0.36) JAK2JAK1TYK2JAK3MAPK1
SCHEMBL31458686 0.88 JAK2 (0.35) JAK2JAK1TYK2JAK3MAPK1
SCHEMBL31458719 0.87 JAK2 (0.34) JAK2JAK1TYK2JAK3CD274
SCHEMBL25261220 0.86 JAK2 (0.36) JAK2JAK1TYK2JAK3MAPK1
SCHEMBL31458716 0.86 JAK2 (0.34) JAK2JAK1TYK2JAK3CD274
SCHEMBL31458579 0.83 JAK2 (0.36) JAK2JAK1TYK2JAK3MAPK1
SCHEMBL25226135 0.81 CD274 (0.39) JAK2JAK1TYK2JAK3MAPK1
SCHEMBL31423918 0.80 JAK2 (0.41) JAK2JAK1TYK2JAK3CD274
SCHEMBL25422687 0.80 JAK2 (0.35) JAK2JAK1TYK2JAK3MAPK1

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