SCHEMBL7091634

SCHEMBL7091634

COc1cc2c(NC(=Nc3c(C)cccc3C)NCC(=O)OC(C)(C)C)ncnc2cc1OCCN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.54
EGFR P00533 8/20 0.54
RET P07949 2/20 0.49
EPHA2 P29317 2/20 0.48
EPHB4 P54760 2/20 0.48
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
CSF1R P07333 2/20 0.46
PDGFRB P09619 2/20 0.46
FLT4 P35916 2/20 0.46
FLT3 P36888 2/20 0.46
AURKA O14965 1/20 0.46

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
SCHEMBL6982367 0.94 EGFR (0.55) KDREGFRRETEPHA2EPHB4
SCHEMBL7165079 0.91 KDR (0.59) KDREGFRRETEPHA2EPHB4
SCHEMBL5828882 0.87 PDGFRB (0.49) KDREGFRRETFLT1CSF1R
SCHEMBL5828886 0.87 PDGFRB (0.49) KDREGFRRETFLT1CSF1R
SCHEMBL6980237 0.86 KDR (0.53) KDREGFRRETFGFR1FLT1
SCHEMBL6984966 0.85 EGFR (0.58) KDREGFRRETEPHA2EPHB4
SCHEMBL5828140 0.81 EGFR (0.50) KDREGFRRETPDGFRBAURKA
SCHEMBL5828139 0.81 EGFR (0.50) KDREGFRRETPDGFRBAURKA
SCHEMBL6985354 0.80 AXL (0.39) KDREGFREPHA2EPHB4FGFR1
SCHEMBL6982645 0.79 EGFR (0.59) KDREGFRRETAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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