SCHEMBL14713183

SCHEMBL14713183

CC(=O)Nc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccccc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.57
PDGFRB P09619 9/20 0.57
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC16A3 O15427 1/20 0.40
BDKRB1 P46663 1/20 0.40

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
SCHEMBL835188 0.92 KDR (0.55) KDRPDGFRBMAPTHPGDKMT2A
SCHEMBL836845 0.92 KDR (0.52) KDRPDGFRBMAPTKDM4EMEN1
SCHEMBL836264 0.91 KDR (0.61) KDRPDGFRBKDM4EMEN1ALDH1A1
SCHEMBL835109 0.90 KDR (0.54) KDRPDGFRBMAPTALDH1A1SLC16A3
SCHEMBL836381 0.90 KDR (0.65) KDRPDGFRB
SCHEMBL835900 0.90 KDR (0.51) KDRPDGFRBKDM4EMEN1ALDH1A1
SCHEMBL14713182 0.90 KDR (0.59) KDRPDGFRBMAPTALDH1A1
SCHEMBL833206 0.90 KDR (0.64) KDRPDGFRBMAPT
SCHEMBL833205 0.90 KDR (0.64) KDRPDGFRBMAPT
SCHEMBL836681 0.90 KDR (0.51) KDRPDGFRBKDM4EMEN1ALDH1A1

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