SCHEMBL5828053

SCHEMBL5828053

COc1cc2c(N/C(=N\CCC3CCCN3C)Nc3c(C)cccc3C)ncnc2cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.48
EPHA2 P29317 1/20 0.48
EPHB4 P54760 1/20 0.48
EGFR P00533 12/20 0.45
NSD2 O96028 1/20 0.44
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
EHMT2 Q96KQ7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
LCK P06239 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL5828058 1.00 KDR (0.48) KDREPHA2EPHB4EGFRNSD2
SCHEMBL5828878 0.94 KDR (0.51) KDREPHA2EPHB4EGFRNSD2
SCHEMBL5828880 0.94 KDR (0.51) KDREPHA2EPHB4EGFRNSD2
SCHEMBL5828988 0.89 KDR (0.46) KDREPHA2EPHB4EGFR
SCHEMBL5828980 0.89 KDR (0.46) KDREPHA2EPHB4EGFR
SCHEMBL7089596 0.85 KDR (0.48) KDREPHA2EPHB4EGFRNSD2
SCHEMBL6985326 0.81 EGFR (0.49) KDREGFREHMT2KDM4ELMNA
SCHEMBL4689455 0.76 EGFR (0.58) KDREGFRIRAK1IRAK4KDM4E
SCHEMBL6981911 0.75 HTT (0.48) KDREGFRKDM4ELMNAHPGD
SCHEMBL6980090 0.74 EGFR (0.60) KDREGFR

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