SCHEMBL4490831

SCHEMBL4490831

O=C1Nc2ccccc2C(=O)NC2=C1CCC=C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.51
ACVR1 Q04771 2/20 0.51
PDGFRA P16234 1/20 0.51
FER P16591 1/20 0.51
LTK P29376 1/20 0.51
CDK8 P49336 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.41
CHEK1 O14757 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
NTRK1 P04629 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
GSK3B P49841 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE7B Q9NP56 1/20 0.37
SMN1; SMN2 Q16637 3/20 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
SCHEMBL11168286 0.89 ACVR1 (0.41) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL2420711 0.74 LRRK2 (0.90) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL366728 0.74
SCHEMBL8796463 0.73 CASP7 (0.44) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL8590983 0.72 ACVR1 (0.44) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL10526543 0.71 LRRK2 (0.49) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL1368292 0.70 LRRK2 (1.00) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL27980501 0.70 LRRK2 (0.82) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL9315406 0.69 L3MBTL1 (0.47) MAOAL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL20345807 0.69 KDM4E (0.38) LRRK2ACVR1PDGFRAFERLTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 EP claimed
JP-2006507480-A 2006-03-02 JP claimed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 EP claimed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 WO claimed
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 EP disclosed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 EP disclosed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 WO disclosed