SCHEMBL14713153

SCHEMBL14713153

CC#Cc1cncc(C(=O)N=S(C)(=O)c2ccc(C)c(C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.45
PDGFRB P09619 9/20 0.45
PTGS2 P35354 1/20 0.33
SLC16A3 O15427 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL835395 0.90 KDR (0.53) KDRPDGFRBPTGS2
SCHEMBL1478198 0.89 KDR (0.51) KDRPDGFRBSLC16A3
SCHEMBL835809 0.89 KDR (0.46) KDRPDGFRBHTT
SCHEMBL14713129 0.88 KDR (0.53) KDRPDGFRBPTGS2LMNA
SCHEMBL834977 0.88 KDR (0.46) KDRPDGFRBPTGS2ALDH1A1LMNA
SCHEMBL835745 0.88 KDR (0.43) KDRPDGFRBPTGS2SLC16A3ALDH1A1
SCHEMBL832320 0.88 KDR (0.46) KDRPDGFRBPTGS2ALDH1A1HTT
SCHEMBL836330 0.87 KDR (0.49) KDRPDGFRBLMNA
SCHEMBL836693 0.87 KDR (0.45) KDRPDGFRBPTGS2SLC16A3
SCHEMBL835442 0.87 KDR (0.47) KDRPDGFRBSLC16A3

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-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed