SCHEMBL5828784

SCHEMBL5828784

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 8/20 0.38
ERBB2 P04626 5/20 0.38
KDR P35968 7/20 0.38
EPHB4 P54760 4/20 0.38
ACHE P22303 2/20 0.37
BACE1 P56817 1/20 0.37
NSD2 O96028 1/20 0.36
KIT P10721 5/20 0.36
MAPK14 Q16539 1/20 0.36
FLT1 P17948 3/20 0.35
KDM1A O60341 2/20 0.35
EHMT2 Q96KQ7 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
EZH2 Q15910 1/20 0.35
PRMT1 Q99873 1/20 0.35
KMT5A Q9NQR1 1/20 0.35

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
SCHEMBL5828782 1.00 EPHA2 (0.38) EPHA2ERBB2KDREPHB4ACHE
SCHEMBL6983822 0.89 EPHA2 (0.42) EPHA2ERBB2KDREPHB4NSD2
SCHEMBL5828059 0.85 EPHA2 (0.54) EPHA2ERBB2KDREPHB4KIT
SCHEMBL5828061 0.85 EPHA2 (0.54) EPHA2ERBB2KDREPHB4KIT
SCHEMBL5828595 0.82 EPHA2 (0.36) EPHA2KDREPHB4MAPK14
SCHEMBL5828594 0.82 EPHA2 (0.36) EPHA2KDREPHB4MAPK14
SCHEMBL4689343 0.80 EPHA2 (0.47) EPHA2ERBB2KDREPHB4NSD2
SCHEMBL5829045 0.79 EPHA2 (0.52) EPHA2KDREPHB4KIT
SCHEMBL5829043 0.79 EPHA2 (0.52) EPHA2KDREPHB4KIT
SCHEMBL5828492 0.76 RET (0.41) KDRFLT1

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