SCHEMBL5202865

SCHEMBL5202865

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
FYN P06241 3/20 0.45
GAK O14976 9/20 0.42
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
KIT P10721 1/20 0.41
DYRK1A Q13627 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
HPGDS O60760 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 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
SCHEMBL6028508 0.86 FFAR1 (0.48) PDGFRBPDGFRAFYNCHEK1CHEK2
SCHEMBL5203300 0.86 PDGFRB (0.49) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL5936909 0.76 PDGFRB (0.54) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL5202877 0.73 PDGFRB (0.48) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL5203291 0.73 CHEK1 (0.48) PDGFRBPDGFRAFYNCHEK1CHEK2
SCHEMBL11265688 0.72 MAPT (0.61) KDM4EMEN1KMT2AATM
SCHEMBL6029081 0.71 PDGFRB (0.58) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL3769943 0.71 PDGFRB (0.58) PDGFRBPDGFRAFYNGAKCHEK1
SCHEMBL5202870 0.69 NPC1 (0.58) PDGFRBPDGFRAFYNCHEK1CHEK2
SCHEMBL8840880 0.69 PDE4A (0.67) PDGFRBPDGFRAKDM4EMEN1ALDH1A1

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