SCHEMBL9679552

SCHEMBL9679552

CNC(=O)O.COc1ccc2[nH]c3c(C)c4ccnc(CO)c4cc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.55
DYRK1A Q13627 4/20 0.53
BCHE P06276 3/20 0.48
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
TLR3 O15455 1/20 0.47
NR3C1 P04150 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
NPC1 O15118 1/20 0.45
ACHE P22303 2/20 0.43

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
SCHEMBL9678200 0.94 DYRK1A (0.59) KITDYRK1ABCHEKDM4EMEN1
SCHEMBL9679546 0.87 KIT (0.53) KITDYRK1ABCHEKDM4EMEN1
SCHEMBL24277810 0.85 KIT (0.61) KITDYRK1ABCHEKDM4EMEN1
SCHEMBL8548801 0.83 KIT (0.54) KITDYRK1ABCHEKDM4EMEN1
SCHEMBL13356168 0.80 KIT (0.67) KITDYRK1ABCHEKDM4EMEN1
Dimethylamine SCHEMBL8547837 0.80 KIT (0.54) KITDYRK1ABCHEKDM4EMEN1
SCHEMBL24277001 0.80 KIT (0.57) KITDYRK1ABCHEKDM4EMEN1
SCHEMBL29445100 0.79 KDM4E (0.58) KITDYRK1ABCHEKDM4EMEN1
SCHEMBL9090021 0.79 KDM4E (0.58) KITDYRK1ABCHEKDM4EMEN1
SCHEMBL612838 0.79 KIT (0.59) KITDYRK1ABCHEKDM4EMEN1

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
EP-0416024-A4 SUBSTITUTED 6H-PYRIDO (4,3-B) CARBAZOLES 1992-04-15 EP disclosed
EP-0416024-A1 SUBSTITUTED 6H-PYRIDO (4,3-b) CARBAZOLES RENSSELAER POLYTECHNIC INSTITUTE (US) 1991-03-13 EP disclosed
WO-1989011480-A1 SUBSTITUTED 6H-PYRIDO (4,3-b) CARBAZOLES RENSSELAER POLYTECHNIC INSTITUTE (US) 1989-11-30 WO disclosed