SCHEMBL4690872

SCHEMBL4690872

COc1cc2c(NC(=S)Nc3c(C)cccc3C)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.58
KDR P35968 11/20 0.58
FGFR1 P11362 6/20 0.58
FLT1 P17948 6/20 0.58
FLT4 P35916 6/20 0.58
AXL P30530 1/20 0.53
TYRO3 Q06418 1/20 0.53
MERTK Q12866 1/20 0.53
KIT P10721 1/20 0.49
EPHA2 P29317 3/20 0.49
EPHB4 P54760 3/20 0.49
ERBB2 P04626 1/20 0.49
RET P07949 1/20 0.47
KIF5B P33176 1/20 0.47
RAF1 P04049 1/20 0.47

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
SCHEMBL4689353 0.94 KDR (0.55) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4427825 0.89 EGFR (0.62) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4687812 0.86 EGFR (0.46) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4690909 0.86 EGFR (0.46) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4693103 0.86 EGFR (0.58) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4692095 0.85 EGFR (0.52) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4693053 0.84 RET (0.62) KDREPHA2EPHB4ERBB2RET
SCHEMBL4686372 0.84 EGFR (0.64) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4693034 0.83 RET (0.59) KDREPHA2EPHB4ERBB2RET
SCHEMBL6984858 0.83 KDR (0.45) 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