SCHEMBL5828882

SCHEMBL5828882

COc1cc2c(/N=C(\NCC(=O)OC(C)(C)C)Nc3c(C)cccc3C)ncnc2cc1OCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.49
FLT4 P35916 3/20 0.49
CSF1R P07333 2/20 0.49
FLT3 P36888 2/20 0.49
KDR P35968 9/20 0.47
EGFR P00533 4/20 0.47
BRAF P15056 3/20 0.47
RET P07949 2/20 0.46
RAF1 P04049 3/20 0.45
FLT1 P17948 1/20 0.44

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
SCHEMBL5828886 1.00 PDGFRB (0.49) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828140 0.94 EGFR (0.50) PDGFRBKDREGFRBRAFRET
SCHEMBL5828139 0.94 EGFR (0.50) PDGFRBKDREGFRBRAFRET
SCHEMBL5828263 0.91 PDGFRB (0.52) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828257 0.91 PDGFRB (0.52) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828930 0.88 PDGFRB (0.46) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828927 0.88 PDGFRB (0.46) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL7091634 0.87 KDR (0.54) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828194 0.86 RAF1 (0.48) FLT4KDREGFRRETRAF1
SCHEMBL5828196 0.86 RAF1 (0.48) FLT4KDREGFRRETRAF1

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
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed