SCHEMBL5828263

SCHEMBL5828263

COc1cc2c(N=C(NCC(=O)O)Nc3c(C)cccc3C)ncnc2cc1OCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.52
FLT4 P35916 4/20 0.52
CSF1R P07333 2/20 0.52
FLT3 P36888 2/20 0.52
KDR P35968 10/20 0.51
EGFR P00533 4/20 0.51
EHMT2 Q96KQ7 1/20 0.49
EHMT1 Q9H9B1 1/20 0.49
RET P07949 2/20 0.48
BRAF P15056 1/20 0.46
FLT1 P17948 2/20 0.45

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
SCHEMBL5828257 1.00 PDGFRB (0.52) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828691 0.93 EGFR (0.52) PDGFRBKDREGFRRETBRAF
SCHEMBL5828689 0.93 EGFR (0.52) PDGFRBKDREGFRRETBRAF
SCHEMBL5828886 0.91 PDGFRB (0.49) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828882 0.91 PDGFRB (0.49) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828739 0.88 KDR (0.50) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828734 0.88 KDR (0.50) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828198 0.88 KDR (0.50) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL7165079 0.86 KDR (0.59) PDGFRBFLT4CSF1RFLT3KDR
SCHEMBL5828900 0.85 EGFR (0.52) FLT4KDREGFRRETFLT1

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