SCHEMBL31423912

SCHEMBL31423912

CCOC(C)n1cc(-c2ncn3nc(N[C@H](C)C4CC4)nc3c2O[C@@H](C)C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
LRRK2 Q5S007 1/20 0.34
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
IDH1 O75874 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
SCHEMBL31423999 0.90 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL31423903 0.89 JAK2 (0.37) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL31423907 0.88 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL31423980 0.86 JAK2 (0.42) JAK2JAK1TYK2JAK3AXL
SCHEMBL31423958 0.85 JAK2 (0.38) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL31424015 0.84 JAK2 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL31423978 0.83 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL31423967 0.83 JAK2 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL31318293 0.83 JAK2 (0.39) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL31423953 0.82 IDH1 (0.33) JAK2JAK3IDH1

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