SCHEMBL5702159

SCHEMBL5702159

O=C1Nc2ccccc2C1=Cc1ccc(N2CCNCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.79
PDGFRB P09619 7/20 0.77
RET P07949 2/20 0.76
FGFR1 P11362 1/20 0.76
KIT P10721 2/20 0.68
AURKB Q96GD4 2/20 0.68
FLT3 P36888 1/20 0.59
PLK4 O00444 1/20 0.59
PLK1 P53350 1/20 0.59
KDR P35968 1/20 0.59
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
APP P05067 2/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
SNCA P37840 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CTRC Q99895 2/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL20399720 1.00 ERBB2 (0.79) ERBB2PDGFRBRETFGFR1KIT
SCHEMBL14519135 0.90 ERBB2 (0.97) ERBB2PDGFRBRETFGFR1KIT
SCHEMBL6001567 0.90 ERBB2 (0.97) ERBB2PDGFRBRETFGFR1KIT
SCHEMBL6001605 0.88 ERBB2 (1.00) ERBB2PDGFRBRETFGFR1KIT
SCHEMBL1452716 0.87 PDGFRB (1.00) ERBB2PDGFRBRETFGFR1KIT
SCHEMBL1452713 0.87 PDGFRB (1.00) ERBB2PDGFRBRETFGFR1KIT
SCHEMBL4624850 0.86 PDGFRB (1.00) ERBB2PDGFRBRETFGFR1KIT
SCHEMBL141892 0.86 PDGFRB (1.00) ERBB2PDGFRBRETFGFR1KIT
SCHEMBL20898243 0.86 PDGFRB (1.00) ERBB2PDGFRBRETFGFR1KIT
SCHEMBL29496459 0.86 PDGFRB (1.00) ERBB2PDGFRBRETFGFR1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696906-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005058309-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2005-06-30 WO disclosed