SCHEMBL31423919

SCHEMBL31423919

CCOC(C)n1cc(-c2ccc3nc(NC4CCOCC4)nn3c2Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.40
JAK2 O60674 3/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
MKNK1 Q9BUB5 1/20 0.34
MAPK1 P28482 5/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
IRAK1 P51617 1/20 0.33
TTK P33981 2/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
LRRK2 Q5S007 1/20 0.33
STAT3 P40763 1/20 0.33
LCK P06239 1/20 0.33
MAPK14 Q16539 1/20 0.33
PIM1 P11309 1/20 0.33
CDK4 P11802 1/20 0.32

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
SCHEMBL31423973 0.87 CD274 (0.35) CD274JAK2JAK1TYK2JAK3
SCHEMBL31423944 0.85 CD274 (0.36) CD274JAK2JAK1TYK2JAK3
SCHEMBL31423890 0.85 JAK2 (0.36) CD274JAK2JAK1TYK2JAK3
SCHEMBL25227147 0.81 CD274 (0.39) CD274JAK2JAK1TYK2JAK3
SCHEMBL23209298 0.78 JAK2 (0.42) CD274JAK2JAK1TYK2JAK3
SCHEMBL23209288 0.78 JAK2 (0.40) CD274JAK2JAK1TYK2JAK3
SCHEMBL31423989 0.78 JAK2 (0.40) CD274JAK2JAK1TYK2JAK3
SCHEMBL31318302 0.76 CD274 (0.38) CD274JAK2JAK1TYK2JAK3
SCHEMBL31318303 0.76 CD274 (0.38) CD274JAK2JAK1TYK2JAK3
SCHEMBL31458579 0.74 JAK2 (0.36) CD274JAK2JAK1TYK2JAK3

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-2025054386-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed