SCHEMBL8542307

SCHEMBL8542307

Cc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.48
PDGFRA P16234 1/20 0.48
FGFR3 P22607 1/20 0.48
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 1/20 0.41
PARP1 P09874 1/20 0.38
FLT3 P36888 1/20 0.38
SYK P43405 1/20 0.38
ALOX15 P16050 1/20 0.37
FYN P06241 2/20 0.37
HTT P42858 1/20 0.37
MALT1 Q9UDY8 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TET3 O43151 1/20 0.35
TET2 Q6N021 1/20 0.35
TET1 Q8NFU7 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL29435144 0.94 KIT (0.45) KITPDGFRAFGFR3KDM4EPARP1
SCHEMBL28056 0.94 KIT (0.45) KITPDGFRAFGFR3KDM4EPARP1
SCHEMBL29371790 0.94 KIT (0.45) KITPDGFRAFGFR3KDM4EPARP1
Hydrochloric Acid SCHEMBL29613355 0.94 KIT (0.45) KITPDGFRAFGFR3KDM4EPARP1
Hydrochloric Acid SCHEMBL5953239 0.94 KIT (0.45) KITPDGFRAFGFR3KDM4EPARP1
SCHEMBL8547402 0.89 BCHE (0.46) KITPDGFRAFGFR3KDM4ECYP1A2
SCHEMBL29445131 0.89 BCHE (0.46) KITPDGFRAFGFR3KDM4ECYP1A2
SCHEMBL7640244 0.88 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL8546035 0.88 KIT (0.43) KITPDGFRAFGFR3
SCHEMBL8543956 0.86 KIT (0.43) KITPDGFRAFGFR3KDM4EALOX15

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