SCHEMBL5828595

SCHEMBL5828595

COc1cc2c(N=C(NCCN(C)C)Nc3c(C)cccc3C)ncnc2cc1OCC1COCCN1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 13/20 0.36
RET P07949 3/20 0.35
MAPK14 Q16539 1/20 0.34
KIF5B P33176 2/20 0.34
EGFR P00533 2/20 0.34
KDR P35968 4/20 0.33
EPHB4 P54760 3/20 0.33

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
SCHEMBL5828594 1.00 EPHA2 (0.36) EPHA2RETMAPK14KIF5BEGFR
SCHEMBL6985534 0.88 EPHA2 (0.40) EPHA2RETMAPK14KIF5BEGFR
SCHEMBL5829043 0.85 EPHA2 (0.52) EPHA2KDREPHB4
SCHEMBL5829045 0.85 EPHA2 (0.52) EPHA2KDREPHB4
SCHEMBL5828784 0.82 EPHA2 (0.38) EPHA2MAPK14KDREPHB4
SCHEMBL5828782 0.82 EPHA2 (0.38) EPHA2MAPK14KDREPHB4
SCHEMBL5828499 0.80 RET (0.41) RETKIF5BEGFRKDR
SCHEMBL5828492 0.80 RET (0.41) RETKIF5BEGFRKDR
SCHEMBL5828061 0.79 EPHA2 (0.54) EPHA2KDREPHB4
SCHEMBL5828059 0.79 EPHA2 (0.54) EPHA2KDREPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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