SCHEMBL4690838

SCHEMBL4690838

COc1cc2c(NC(=S)Nc3cc(C)ccc3C)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.66
KDR P35968 9/20 0.66
FGFR1 P11362 6/20 0.66
FLT1 P17948 6/20 0.66
FLT4 P35916 6/20 0.66
SRC P12931 2/20 0.57
RET P07949 2/20 0.57
KIF5B P33176 2/20 0.57
PDGFRB P09619 2/20 0.57
TEK Q02763 2/20 0.57
BMPR1B O00238 1/20 0.57
PLK4 O00444 1/20 0.57
CIT O14578 1/20 0.57
GAK O14976 1/20 0.57
EPHB6 O15197 1/20 0.57
RIPK2 O43353 1/20 0.57
ROCK2 O75116 1/20 0.57
STK10 O94804 1/20 0.57
MAP4K4 O95819 1/20 0.57
ABL1 P00519 1/20 0.57

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
SCHEMBL4690075 0.91 EGFR (0.64) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4690996 0.87 EGFR (0.64) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4427825 0.87 EGFR (0.62) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4690289 0.86 EGFR (0.65) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4689448 0.85 EGFR (0.60) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4686372 0.83 EGFR (0.64) EGFRKDRFGFR1FLT1FLT4
SCHEMBL19154592 0.83 EGFR (0.84) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4689357 0.83 KDR (0.67) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4689388 0.83 EGFR (0.68) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4690101 0.82 KDR (0.65) EGFRKDRFGFR1FLT1FLT4

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