SCHEMBL5200514

SCHEMBL5200514

COc1cc(Nc2ncco2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 17/20 0.50
RIPK2 O43353 11/20 0.50
COQ8A Q8NI60 11/20 0.50
NLK Q9UBE8 11/20 0.50
EPHB6 O15197 3/20 0.50
ABL1 P00519 3/20 0.50
LCK P06239 2/20 0.50
EPHA1 P21709 2/20 0.50
EPHA8 P29322 2/20 0.50
ACVR1 Q04771 2/20 0.50
EGFR P00533 2/20 0.50
BMPR1B O00238 1/20 0.50
SRC P12931 1/20 0.50
MAP2K5 Q13163 1/20 0.50
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
TXK P42681 1/20 0.46
STK16 O75716 1/20 0.46
AAK1 Q2M2I8 1/20 0.46

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
SCHEMBL5200512 0.83 EGFR (0.54) LCKEGFRFLT1FLT4KDR
SCHEMBL7197574 0.76 IMPDH2 (0.58) GAKRIPK2COQ8ANLKEGFR
SCHEMBL2284106 0.73 IGF1R (0.63) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL27601818 0.71 ALDH1A1 (0.58)
SCHEMBL23172128 0.71 MAPK10 (0.55) ABL1EGFRFLT1FLT4KDR
SCHEMBL2572163 0.70 RPS6KA2 (0.63) JAK2
SCHEMBL5383253 0.70 TNIK (0.46) EGFRJAK2CDK2PIK3CAPIK3CB
SCHEMBL13955883 0.70 IGF1R (0.59) EGFRKDRIGF1RJAK2CDK2
SCHEMBL10447450 0.69 CYP1A2 (0.41)
SCHEMBL1116462 0.69 IGF1R (0.79) LCKEGFRSRCFLT1KDR

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-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