SCHEMBL6827356

SCHEMBL6827356

Nc1c(-n2ccnc2)cc(=O)[nH]c1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
GRIK1 P39086 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK4 Q16099 1/20 0.36
GRIK5 Q16478 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
IDO1 P14902 1/20 0.35
CDC7 O00311 1/20 0.34
PGR P06401 1/20 0.34
ADH5 P11766 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL6918526 0.73 PGR (0.41) JAK2JAK1TYK2JAK3PGR
SCHEMBL6920616 0.73 PGR (0.41) JAK2JAK1TYK2JAK3PGR
SCHEMBL6919141 0.71 PGR (0.42) IDO1PGRADH5
SCHEMBL6924518 0.66 PGR (0.36) CD38PGRADH5MTOR
SCHEMBL6824827 0.64 PGR (0.38) CD38IDO1PGRADH5
SCHEMBL6827359 0.64 PGR (0.38) CD38IDO1PGRADH5
SCHEMBL6827087 0.62 PGR (0.39) CD38IDO1PGRADH5
SCHEMBL6827915 0.62 CYP11B1 (0.41) CD38IDO1PGRADH5
SCHEMBL8335858 0.61 LMNA (0.51) PGRADH5
SCHEMBL7324881 0.60 PDE2A (0.34) CD38ADH5

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed