SCHEMBL31458720

SCHEMBL31458720

F[C@@H]1COCC[C@@H]1Nc1nc2c(N3CCC(F)(F)C3)c(-c3cn[nH]c3)ncn2n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
MAP3K12 Q12852 1/20 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
SCHEMBL31458716 0.83 JAK2 (0.34) CNR2
SCHEMBL25226791 0.82 PIK3CA (0.33)
SCHEMBL31458628 0.81 PRKDC (0.30)
SCHEMBL25277898 0.80 ATR (0.35)
SCHEMBL31458611 0.78 PIK3CA (0.34)
SCHEMBL31423916 0.77 CNR2 (0.33) CNR2MAP3K12
SCHEMBL31458594 0.73 CDK1 (0.35) CNR2
SCHEMBL25271283 0.73 JAK2 (0.34)
SCHEMBL25221523 0.73 JAK2 (0.34)
SCHEMBL31423985 0.71

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