SCHEMBL31458631

SCHEMBL31458631

F[C@@H]1COCC[C@@H]1Nc1nc2cnc(-c3cn[nH]c3)c(OCC(F)(F)F)n2n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.33
PIK3CA P42336 1/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL25272678 0.86 JAK1 (0.32) JAK1PIK3CAMAPK1
SCHEMBL25224487 0.86 JAK1 (0.32) JAK1PIK3CAMAPK1
SCHEMBL25225259 0.86 JAK1 (0.32) JAK1PIK3CAMAPK1
SCHEMBL25226337 0.86 ATR (0.34) JAK1PIK3CAMAPK1
SCHEMBL25223683 0.83 JAK1 (0.31) JAK1
SCHEMBL31458674 0.82 JAK2 (0.34) JAK1MAPK1
SCHEMBL25227742 0.81 JAK1 (0.34) JAK1PIK3CAMAPK1
SCHEMBL31458611 0.79 PIK3CA (0.34) PIK3CAMAPK1
SCHEMBL30063693 0.76 CDK6 (0.37) JAK1
SCHEMBL31423896 0.74 PIM1 (0.40) JAK1PIK3CAMAPK1

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