SCHEMBL6983822

SCHEMBL6983822

COc1cc2c(NC(=Nc3c(C)cccc3C)NCCN(C)C)ncnc2cc1OCC1COCCN1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 13/20 0.42
ERBB2 P04626 6/20 0.42
KDR P35968 13/20 0.42
EPHB4 P54760 7/20 0.42
NSD2 O96028 1/20 0.41
FLT1 P17948 3/20 0.39
MAPK14 Q16539 1/20 0.39
EGFR P00533 3/20 0.39
AURKA O14965 1/20 0.39
ROCK2 O75116 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
MAPT P10636 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
TTK P33981 1/20 0.39

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
SCHEMBL5828784 0.89 EPHA2 (0.38) EPHA2ERBB2KDREPHB4NSD2
SCHEMBL5828782 0.89 EPHA2 (0.38) EPHA2ERBB2KDREPHB4NSD2
SCHEMBL6984999 0.85 EPHA2 (0.59) EPHA2ERBB2KDREPHB4
SCHEMBL5828728 0.83 EGFR (0.50) KDRMAPK14EGFRAURKAALDH1A1
SCHEMBL5828729 0.83 EGFR (0.50) KDRMAPK14EGFRAURKAALDH1A1
SCHEMBL6985534 0.82 EPHA2 (0.40) EPHA2KDREPHB4MAPK14EGFR
SCHEMBL4689343 0.81 EPHA2 (0.47) EPHA2ERBB2KDREPHB4NSD2
SCHEMBL5828872 0.81 HTT (0.48) KDRFLT1MAPK14EGFRALDH1A1
SCHEMBL5828868 0.81 HTT (0.48) KDRFLT1MAPK14EGFRALDH1A1
SCHEMBL6981726 0.79 EPHA2 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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