SCHEMBL5202857

SCHEMBL5202857

COc1ccc(-c2cnc(C(C)C(=O)S)nc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
CHEK2 O96017 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
DYRK1A Q13627 2/20 0.44
KIT P10721 1/20 0.44
AAK1 Q2M2I8 8/20 0.44
GAK O14976 4/20 0.43
FYN P06241 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
STK17B O94768 3/20 0.41

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
SCHEMBL7161673 0.87 CHEK1 (0.48) CHEK1CHEK2PDGFRBPDGFRADYRK1A
SCHEMBL5202877 0.82 PDGFRB (0.48) CHEK1CHEK2PDGFRBPDGFRADYRK1A
SCHEMBL5203291 0.76 CHEK1 (0.48) CHEK1CHEK2PDGFRBPDGFRADYRK1A
SCHEMBL6029081 0.74 PDGFRB (0.58) CHEK1CHEK2PDGFRBPDGFRADYRK1A
SCHEMBL12592207 0.71 PDE4A (0.72) CHEK1CHEK2PDGFRBPDGFRAAAK1
SCHEMBL11046284 0.71 PDE4A (0.57) CHEK1CHEK2PDGFRBPDGFRAAAK1
SCHEMBL3769943 0.71 PDGFRB (0.58) CHEK1CHEK2PDGFRBPDGFRADYRK1A
SCHEMBL11114300 0.70 CHEK1 (0.48) CHEK1CHEK2PDGFRBPDGFRADYRK1A
SCHEMBL5936909 0.70 PDGFRB (0.54) CHEK1CHEK2PDGFRBPDGFRADYRK1A
SCHEMBL11047919 0.70 MAPK1 (0.59) CHEK1CHEK2PDGFRBPDGFRADYRK1A

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
EP-1358181-B1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1358181-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002050064-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO disclosed