SCHEMBL14614733

SCHEMBL14614733

CN(C(=O)c1cnc2ccccc2n1)c1ncccc1-c1cn2c(CN3CCOCC3)csc2n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.55
CHRM2 P08172 1/20 0.55
ADRA2A P08913 1/20 0.55
CHRM1 P11229 1/20 0.55
SLC6A2 P23975 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.55
SIRT3 Q9NTG7 1/20 0.55
HTR1A P08908 2/20 0.36
DRD4 P21917 2/20 0.36
JAK3 P52333 3/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL2624441 0.83 SIRT1 (0.67) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL14607769 0.81 SIRT1 (0.70) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740333 0.80 SIRT1 (0.82) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624440 0.76 SIRT1 (0.48) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4789284 0.75 SIRT1 (0.49) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL220301 0.75 SIRT1 (0.48) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL221933 0.75 SIRT1 (0.48) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL219156 0.75 SIRT1 (0.48) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740335 0.73 SIRT1 (0.86) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4818916 0.73 SIRT1 (0.44) SIRT1CHRM2ADRA2ACHRM1SLC6A2

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-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed