SCHEMBL14214680

SCHEMBL14214680

COc1cc(Nc2ncnc(-n3c(NC(C)=O)nc4ccccc43)n2)cc(OC)c1OC

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.76
KDR P35968 3/20 0.76
MAPK14 Q16539 2/20 0.76
PTK2 Q05397 10/20 0.52
IGF1R P08069 2/20 0.52
PIK3CA P42336 3/20 0.51
MTOR P42345 3/20 0.51
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR4 P22455 1/20 0.50
FGFR3 P22607 1/20 0.50
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TEK Q02763 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL14214727 0.85 KDR (0.71) LCKKDRMAPK14PTK2IGF1R
SCHEMBL14214730 0.85 KDR (0.82) LCKKDRMAPK14PTK2IGF1R
SCHEMBL6478410 0.84 KDR (0.80) LCKKDRMAPK14PTK2IGF1R
SCHEMBL6480335 0.84 LCK (0.71) LCKKDRMAPK14PTK2IGF1R
SCHEMBL6478730 0.84 KDR (0.77) LCKKDRMAPK14PTK2IGF1R
SCHEMBL6480028 0.84 KDR (0.77) LCKKDRMAPK14PTK2IGF1R
SCHEMBL14214609 0.84 KDR (0.87) LCKKDRMAPK14PTK2IGF1R
SCHEMBL14214615 0.83 KDR (0.85) LCKKDRMAPK14PTK2IGF1R
SCHEMBL14214616 0.82 KDR (0.84) LCKKDRMAPK14PTK2IGF1R
SCHEMBL14214614 0.82 KDR (0.78) LCKKDRMAPK14PTK2IGF1R

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-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed