SCHEMBL5751000

SCHEMBL5751000

Cn1cnc(-c2ccccc2)c1-c1cc2ncnc(N)c2o1.Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC3CCCCC3)nc12

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.73
FLT1 P17948 2/20 0.57
KDR P35968 2/20 0.57
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
MTOR P42345 1/20 0.33
PRKDC P78527 1/20 0.33
DDR1 Q08345 1/20 0.33
MAPK14 Q16539 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL4796516 0.86 TEK (1.00) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4800553 0.78 TEK (0.83) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4800769 0.78 TEK (0.83) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4802696 0.77 TEK (0.53) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4799979 0.76 TEK (0.76) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4796261 0.75 TEK (0.75) TEKFLT1KDRMAPK14
SCHEMBL4798753 0.75 TEK (1.00) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4800579 0.72 TEK (1.00) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4796437 0.71 TEK (0.84) TEKFLT1KDRPIK3CDPIK3CA
SCHEMBL4803254 0.71 TEK (0.77) TEKFLT1KDRPIK3CDPIK3CA

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-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP claimed