SCHEMBL5355082

SCHEMBL5355082

NC1CCN(S(=O)(=O)c2cccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc23)C1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.73
CHEK1 O14757 3/20 0.48
VCP P55072 1/20 0.41
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
HTR2B P41595 2/20 0.36
HTR6 P50406 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 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
SCHEMBL5355698 0.84 KDR (1.00) KDRCHEK1
SCHEMBL5358982 0.84 KDR (0.89) KDRCHEK1VCP
SCHEMBL5367711 0.83 KDR (0.70) KDRCHEK1HTR2BHTR1A
SCHEMBL14590417 0.82 KDR (0.71) KDRCHEK1
SCHEMBL5355458 0.78 KDR (0.54) KDRCHEK1ALOX5APFEN1
SCHEMBL5362169 0.78 KDR (0.77) KDRCHEK1ALOX5APFEN1
SCHEMBL5362580 0.77 KDR (0.70) KDRCHEK1ALOX5APFEN1
SCHEMBL6795564 0.76 MEN1 (0.60) HTR2BHTR6HTR1ADRD2HTR1D
SCHEMBL5355363 0.76 KDR (0.85) KDRCHEK1
SCHEMBL5359215 0.75 KDR (0.67) KDRCHEK1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed