SCHEMBL6980237

SCHEMBL6980237

COc1cc2c(NC(=Nc3c(C)cccc3C)NCC(=O)OC(C)(C)C)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.53
EGFR P00533 15/20 0.53
FGFR1 P11362 2/20 0.50
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50
RET P07949 1/20 0.50
KIF5B P33176 1/20 0.50

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
SCHEMBL6986555 0.92 KDR (0.52) KDREGFRFGFR1FLT1FLT4
SCHEMBL7145040 0.92 EGFR (0.58) KDREGFRFGFR1FLT1FLT4
SCHEMBL5828196 0.88 RAF1 (0.48) KDREGFRFGFR1FLT1FLT4
SCHEMBL5828194 0.88 RAF1 (0.48) KDREGFRFGFR1FLT1FLT4
SCHEMBL7091634 0.86 KDR (0.54) KDREGFRFGFR1FLT1FLT4
SCHEMBL6985569 0.86 EGFR (0.56) KDREGFRFGFR1FLT1FLT4
SCHEMBL6982367 0.84 EGFR (0.55) KDREGFRRET
SCHEMBL7196859 0.83 EGFR (0.60) KDREGFRFGFR1FLT1FLT4
SCHEMBL5496194 0.80 KDR (0.67) KDREGFRFGFR1FLT1FLT4
SCHEMBL5827926 0.80 RAF1 (0.47) KDREGFRFGFR1FLT1FLT4

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