SCHEMBL14628837

SCHEMBL14628837

C[C@@H]1CCCCC1n1c(=O)n(Cc2ccc3c(c2)OCCCO3)c2cnc3[nH]ccc3c21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.49
JAK2 O60674 16/20 0.49
JAK3 P52333 15/20 0.49
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
TYK2 P29597 3/20 0.37
NUAK1 O60285 1/20 0.37
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
NUAK2 Q9H093 1/20 0.37
BMP2K Q9NSY1 1/20 0.37

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
SCHEMBL2055114 1.00 JAK1 (0.49) JAK1JAK2JAK3PDE1APDE1B
SCHEMBL2055132 0.89 JAK1 (0.46) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2104864 0.83 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2105247 0.83 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL2105308 0.82 JAK1 (0.51) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2106069 0.82 JAK1 (0.51) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2055096 0.82 JAK1 (0.52) JAK1JAK2JAK3TYK2
SCHEMBL2055183 0.82 JAK1 (0.52) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2055081 0.82 JAK1 (0.52) JAK1JAK2JAK3TYK2NUAK1
SCHEMBL2055105 0.82 JAK1 (0.51) JAK1JAK2JAK3PDE1BTYK2

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-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed