SCHEMBL5200512

SCHEMBL5200512

COc1ccc(Nc2ncco2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.54
FLT1 P17948 2/20 0.51
KDR P35968 2/20 0.51
FLT4 P35916 1/20 0.51
IMPDH2 P12268 1/20 0.48
ABCG2 Q9UNQ0 3/20 0.47
CLK1 P49759 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LCK P06239 1/20 0.46
PIM1 P11309 1/20 0.44
QPCT Q16769 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
IGF1R P08069 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 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
SCHEMBL7197574 0.83 IMPDH2 (0.58) EGFRIMPDH2KMT2A
SCHEMBL5200514 0.83 GAK (0.50) EGFRFLT1KDRFLT4LCK
SCHEMBL5383253 0.80 TNIK (0.46) EGFRIMPDH2
SCHEMBL23172128 0.73 MAPK10 (0.55) EGFRFLT1KDRFLT4KMT2A
SCHEMBL7369051 0.71 KMT2A (0.54) EGFRABCG2CLK1KMT2AMEN1
SCHEMBL5129432 0.71 MEN1 (0.46) EGFRFLT1KDRFLT4ABCG2
SCHEMBL1116446 0.71 IGF1R (0.73) EGFRFLT1KDRFLT4KMT2A
SCHEMBL3269159 0.71 ABCG2 (0.67) EGFRIMPDH2ABCG2CLK1KMT2A
SCHEMBL6977133 0.70 MAPT (0.57) EGFRFLT1KDRFLT4ABCG2
SCHEMBL14648633 0.70 IGF1R (0.55) EGFRFLT1KDRFLT4ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP claimed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP claimed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO claimed
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP disclosed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO disclosed