SCHEMBL3407169

SCHEMBL3407169

CS(=O)(=O)N1CCc2nc(NCCCC3CCN(C(=O)O)CC3)ncc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
HSP90AA1 P07900 2/20 0.39
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KA5 O75582 1/20 0.38
RPS6KA4 O75676 1/20 0.38
KIT P10721 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
RPS6KA3 P51812 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
RPS6KA6 Q9UK32 1/20 0.38
ENPP2 Q13822 2/20 0.37
MAPK1 P28482 1/20 0.36
MERTK Q12866 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2246087 0.89 GPR119 (0.48) GPR119
SCHEMBL2250016 0.87 GPR119 (0.42) NAMPTHSP90AA1CHEK1AURKARPS6KA5
SCHEMBL2249737 0.86 FLT3 (0.40) HSP90AA1CHEK1AURKARPS6KA5RPS6KA4
SCHEMBL3405712 0.83 HSP90AA1 (0.41) NAMPTHSP90AA1ALDH1A1L3MBTL1GPR119
SCHEMBL2243836 0.82 GPR119 (0.51) HSP90AA1CHEK1AURKARPS6KA5RPS6KA4
SCHEMBL2252146 0.79 GPR119 (0.53) HSP90AA1CHEK1AURKARPS6KA5RPS6KA4
SCHEMBL2248689 0.79 ALDH1A1 (0.39) NAMPTAURKACDK2ENPP2MAPK1
SCHEMBL2248693 0.77 ALDH1A1 (0.37) HSP90AA1AURKACDK2ENPP2ALDH1A1
SCHEMBL21656758 0.76 HSP90AA1 (0.48) HSP90AA1CHEK1AURKARPS6KA5RPS6KA4
SCHEMBL2243447 0.73 GPR119 (0.52) GPR119

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-2252613-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM, LLC (BM) 2010-11-24 EP disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO disclosed