SCHEMBL5828739

SCHEMBL5828739

COc1cc2c(N=C(Nc3c(C)cccc3C)N[C@H](C)C(=O)O)ncnc2cc1OCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.50
EGFR P00533 4/20 0.50
PDGFRB P09619 7/20 0.49
FLT4 P35916 4/20 0.49
CSF1R P07333 3/20 0.49
FLT3 P36888 3/20 0.49
KIT P10721 1/20 0.47
RET P07949 2/20 0.47
FLT1 P17948 2/20 0.46
BRAF P15056 1/20 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
SCHEMBL5828734 1.00 KDR (0.50) KDREGFRPDGFRBFLT4CSF1R
SCHEMBL5828198 1.00 KDR (0.50) KDREGFRPDGFRBFLT4CSF1R
SCHEMBL5828927 0.91 PDGFRB (0.46) KDREGFRPDGFRBFLT4CSF1R
SCHEMBL5828930 0.91 PDGFRB (0.46) KDREGFRPDGFRBFLT4CSF1R
SCHEMBL5828257 0.88 PDGFRB (0.52) KDREGFRPDGFRBFLT4CSF1R
SCHEMBL5828263 0.88 PDGFRB (0.52) KDREGFRPDGFRBFLT4CSF1R
SCHEMBL5828886 0.84 PDGFRB (0.49) KDREGFRPDGFRBFLT4CSF1R
SCHEMBL5828882 0.84 PDGFRB (0.49) KDREGFRPDGFRBFLT4CSF1R
SCHEMBL5828691 0.82 EGFR (0.52) KDREGFRPDGFRBRETBRAF
SCHEMBL5828689 0.82 EGFR (0.52) KDREGFRPDGFRBRETBRAF

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 1 patent. 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