SCHEMBL4693096

SCHEMBL4693096

COc1cc2c(SNC(=O)Nc3c(C)cccc3C)ncnc2cc1OCC1CCCN(C)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.50
KDR P35968 8/20 0.49
EGFR P00533 5/20 0.49
FGFR1 P11362 3/20 0.49
FLT1 P17948 3/20 0.49
FLT4 P35916 3/20 0.49
EPHA2 P29317 3/20 0.44
EPHB4 P54760 1/20 0.44
RET P07949 1/20 0.44
KIF5B P33176 1/20 0.44
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
ABL2 P42684 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL4427820 0.92 KDR (0.55) KDREGFRFGFR1FLT1FLT4
SCHEMBL4686367 0.87 EGFR (0.55) KDREGFRFGFR1FLT1FLT4
SCHEMBL4690072 0.84 EGFR (0.54) KITKDREGFRFGFR1FLT1
SCHEMBL4689354 0.84 KDR (0.58) KITKDREGFRFGFR1FLT1
SCHEMBL4689382 0.84 EGFR (0.58) KDREGFRFGFR1FLT1FLT4
SCHEMBL4693103 0.81 EGFR (0.58) KITKDREGFRFGFR1FLT1
SCHEMBL4690835 0.80 EGFR (0.56) KITKDREGFRFGFR1FLT1
SCHEMBL4693980 0.80 KDR (0.40) KDREPHA2EPHB4RETKIF5B
SCHEMBL5496194 0.79 KDR (0.67) KDREGFRFGFR1FLT1FLT4
SCHEMBL4690287 0.79 EGFR (0.56) KITKDREGFRFGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
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