SCHEMBL6004800

SCHEMBL6004800

CCCNC(=O)NCCOc1ccc2nccc(Oc3ccc(CC)nc3-c3ccccn3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.40
AURKA O14965 5/20 0.40
TEK Q02763 5/20 0.40
LCK P06239 3/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MET P08581 5/20 0.36
AURKB Q96GD4 2/20 0.36
LYN P07948 1/20 0.36
FLT1 P17948 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6004207 0.85 CYP1A2 (0.37) KDRKDM4EGAAMEN1KMT2A
SCHEMBL6004984 0.85 PDE3B (0.39) KDM4EGAAMETALDH1A1MAPT
SCHEMBL6004710 0.80 CYP3A4 (0.42) KDRKDM4EMETALDH1A1NPC1
SCHEMBL6005438 0.80 MET (0.35) KDM4EMETALDH1A1MAPTNPC1
SCHEMBL6004082 0.79 CBFB (0.37) KDRKDM4EGAAMEN1KMT2A
SCHEMBL6004857 0.78 SRC (0.37) KDRKDM4EGAAMEN1KMT2A
SCHEMBL6004126 0.76 ROCK2 (0.36) KDRAURKATEKLCKMEN1
SCHEMBL6004067 0.75 SLC22A12 (0.38) KDRAURKATEKLCKMET
SCHEMBL6003010 0.75 PDE3B (0.41) KDRAURKATEKLCKMEN1
SCHEMBL6005265 0.75 TGFBR1 (0.44) KDM4EMEN1KMT2AAURKBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed