SCHEMBL7089596

SCHEMBL7089596

COc1cc2c(NC(=Nc3c(C)cccc3C)NCCC3CCCN3C)ncnc2cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 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
EHMT2 Q96KQ7 1/20 0.42
MAPK1 P28482 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
IRAK1 P51617 1/20 0.41
IRAK4 Q9NWZ3 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
SCHEMBL7090020 0.89 KDR (0.45) KDREPHA2EPHB4EGFR
SCHEMBL5828053 0.85 KDR (0.48) KDREPHA2EPHB4EGFRNSD2
SCHEMBL5828058 0.85 KDR (0.48) KDREPHA2EPHB4EGFRNSD2
SCHEMBL5828729 0.83 EGFR (0.50) KDREGFREHMT2MAPK1KDM4E
SCHEMBL5828728 0.83 EGFR (0.50) KDREGFREHMT2MAPK1KDM4E
SCHEMBL5828851 0.81 KDM1A (0.49) KDREGFREHMT2MAPK1KDM4E
SCHEMBL5828850 0.81 KDM1A (0.49) KDREGFREHMT2MAPK1KDM4E
SCHEMBL5828878 0.78 KDR (0.51) KDREPHA2EPHB4EGFRNSD2
SCHEMBL5828880 0.78 KDR (0.51) KDREPHA2EPHB4EGFRNSD2
SCHEMBL5828868 0.76 HTT (0.48) KDREGFRMAPK1KDM4ELMNA

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