SCHEMBL8543762

SCHEMBL8543762

CCC(NC(=O)c1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3C)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
FGFR3 P22607 1/20 0.42
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SPR P35270 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
EGFR P00533 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL8547401 0.89 BCHE (0.46) BCHEACHEKDM4EALDH1A1LMNA
SCHEMBL8546027 0.88 KIT (0.40) KITPDGFRAFGFR3BCHEACHE
SCHEMBL24277208 0.85 KIT (0.40) KITPDGFRAFGFR3BCHEACHE
SCHEMBL24277211 0.85 KIT (0.40) KITPDGFRAFGFR3BCHEACHE
Dimethylamine SCHEMBL8546032 0.85 KIT (0.44) KITPDGFRAFGFR3BCHEACHE
Dimethylamine SCHEMBL7640258 0.84 KIT (0.43) KITPDGFRAFGFR3BCHEACHE
SCHEMBL29371790 0.83 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL28056 0.83 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL29435144 0.83 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5953239 0.83 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591058-B1 Ellipticine derivatives with antitumor activity ADIR (FR) 1998-06-03 EP claimed
US-5407940-A Antitumor agents ADIR ET COMPAGNIE (FR) 1995-04-18 US claimed
EP-0591058-A1 Ellipticine derivatives with antitumor activity ADIR ET COMPAGNIE (FR) 1994-04-06 EP claimed
EP-0591058-B1 Ellipticine derivatives with antitumor activity ADIR (FR) 1998-06-03 EP disclosed
US-5498611-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1996-03-12 US disclosed
US-5407940-A Antitumor agents ADIR ET COMPAGNIE (FR) 1995-04-18 US disclosed
EP-0591058-A1 Ellipticine derivatives with antitumor activity ADIR ET COMPAGNIE (FR) 1994-04-06 EP disclosed