SCHEMBL4690909

SCHEMBL4690909

COc1cc2ncnc(NC(=S)Nc3c(C)cccc3C)c2cc1OCC1CCOC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.46
RET P07949 2/20 0.46
KIF5B P33176 2/20 0.46
KDR P35968 11/20 0.45
EPHA2 P29317 8/20 0.45
EPHB4 P54760 5/20 0.45
ERBB2 P04626 1/20 0.45
FGFR1 P11362 2/20 0.43
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 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
SCHEMBL4689353 0.90 KDR (0.55) EGFRRETKIF5BKDREPHA2
SCHEMBL4690213 0.86 KDR (0.55) EGFRRETKIF5BKDREPHA2
SCHEMBL4690872 0.86 EGFR (0.58) EGFRRETKIF5BKDREPHA2
SCHEMBL4693053 0.86 RET (0.62) RETKIF5BKDREPHA2EPHB4
SCHEMBL4427825 0.86 EGFR (0.62) EGFRRETKIF5BKDREPHA2
SCHEMBL4693034 0.85 RET (0.59) RETKIF5BKDREPHA2EPHB4
SCHEMBL4687812 0.85 EGFR (0.46) EGFRRETKIF5BKDREPHA2
SCHEMBL4686907 0.84 EGFR (0.57) EGFRRETKIF5BKDREPHA2
SCHEMBL4693103 0.84 EGFR (0.58) EGFRRETKIF5BKDREPHA2
SCHEMBL4693982 0.83 EPHB4 (0.45) RETKIF5BKDREPHA2EPHB4

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