SCHEMBL3432395

SCHEMBL3432395

Nc1ncc(N2CC3CC2CO3)c(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 18/20 0.52
LMNA P02545 1/20 0.45
DLK1 P80370 1/20 0.44

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
SCHEMBL3432392 0.81 MAP3K12 (0.52) MAP3K12
SCHEMBL21658973 0.80 MAP3K12 (0.48) MAP3K12DLK1
SCHEMBL3430566 0.78 CHRNA7 (0.57) LMNA
SCHEMBL3433512 0.78 CHRNB2 (0.51) MAP3K12LMNA
SCHEMBL3431236 0.73 LMNA (0.42) LMNA
SCHEMBL2577774 0.71 MAP3K12 (0.49) MAP3K12
SCHEMBL18436556 0.68 PRKDC (0.45) MAP3K12
SCHEMBL16210488 0.68 MAP3K12 (1.00) MAP3K12
SCHEMBL18335242 0.68 DHFR (0.56) LMNA
SCHEMBL23124346 0.67 MAP3K12 (0.41) MAP3K12DLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265607-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES Rigel Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009103032-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed