SCHEMBL31423960

SCHEMBL31423960

CCOC(C)n1cc(-c2ncn3nc(NC4CC4)nc3c2OCC(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

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
CDK1 P06493 7/20 0.33
CDK4 P11802 7/20 0.33
CCNB1 P14635 7/20 0.33
CCND1 P24385 7/20 0.33
CCNE1 P24864 7/20 0.33
CDK2 P24941 7/20 0.33
CCND3 P30281 7/20 0.33
CDK6 Q00534 7/20 0.33
LRRK2 Q5S007 2/20 0.33
CCNT1 O60563 3/20 0.32
CDK7 P50613 3/20 0.32
CDK9 P50750 3/20 0.32
CCNH P51946 3/20 0.32
MNAT1 P51948 3/20 0.32
CD274 Q9NZQ7 1/20 0.31
PSEN1 P49768 2/20 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) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL31423998 0.88 JAK2 (0.38) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL31458686 0.87 JAK2 (0.35) JAK2JAK1TYK2JAK3CD274
SCHEMBL31423996 0.84 JAK2 (0.40) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL31423897 0.84 JAK2 (0.40) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL25673249 0.84 JAK2 (0.38) JAK2JAK1TYK2JAK3CDK2
SCHEMBL31160641 0.83 JAK2 (0.38) JAK2JAK1TYK2JAK3CDK2
SCHEMBL31423979 0.82 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL23233965 0.81 JAK2 (0.36) JAK2JAK1TYK2JAK3CD274
SCHEMBL31423986 0.81 JAK2 (0.36) JAK2JAK1TYK2JAK3

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