SCHEMBL8550032

SCHEMBL8550032

Cc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c1[nH]c1ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.49
KIT P10721 3/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
RAD52 P43351 1/20 0.45
PDGFRA P16234 1/20 0.42
FGFR3 P22607 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40
CHUK O15111 1/20 0.39
INSR P06213 1/20 0.39

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
SCHEMBL8547397 0.94 KIT (0.44) BRAFKITKDM4EALDH1A1HPGD
SCHEMBL9091811 0.88 KIT (0.59) BRAFKITKDM4EALDH1A1HPGD
Dimethylamine SCHEMBL8550040 0.86 KIT (0.44) BRAFKITKDM4EPDGFRAFGFR3
Dimethylamine SCHEMBL8548190 0.84 KIT (0.46) BRAFKITPDGFRAFGFR3
SCHEMBL1061365 0.83 KIT (0.64) BRAFKITPOLBPDGFRAFGFR3
SCHEMBL8547834 0.83 KIT (0.56) BRAFKITKDM4EALDH1A1HPGD
SCHEMBL8543769 0.82 CYP1A2 (0.45) KITKDM4EHSD17B10KMT2APDGFRA
SCHEMBL24277030 0.81 KIT (0.42) BRAFKITALDH1A1HPGDPDGFRA
SCHEMBL8548184 0.80 KIT (0.44) BRAFKITHPGDPDGFRAFGFR3
SCHEMBL8550027 0.80 KIT (0.42) BRAFKITHPGDPDGFRAFGFR3

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 4 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 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