SCHEMBL14214731

SCHEMBL14214731

COc1cc(Nc2ncnc(-n3ccc4cc([N+](=O)[O-])ccc43)n2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 13/20 0.60
KDR P35968 6/20 0.57
LCK P06239 4/20 0.48
MAPK14 Q16539 2/20 0.48
IGF1R P08069 2/20 0.44
EPHB4 P54760 1/20 0.44
AURKB Q96GD4 3/20 0.44
JAK2 O60674 3/20 0.44
AURKA O14965 2/20 0.44
DAPK3 O43293 2/20 0.44
PAK4 O96013 2/20 0.44
ABL1 P00519 2/20 0.44
NTRK1 P04629 2/20 0.44
FYN P06241 2/20 0.44
CSF1R P07333 2/20 0.44
RET P07949 2/20 0.44
MET P08581 2/20 0.44
PDGFRB P09619 2/20 0.44
FGFR1 P11362 2/20 0.44
PDGFRA P16234 2/20 0.44

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
SCHEMBL14214618 0.83 KDR (0.55) PTK2KDRLCKMAPK14IGF1R
SCHEMBL14214538 0.77 KDR (0.52) PTK2KDRLCKMAPK14IGF1R
SCHEMBL14214527 0.77 PTK2 (0.59) PTK2KDRLCKMAPK14IGF1R
SCHEMBL12529077 0.75 PTK2 (1.00) PTK2KDRLCKIGF1RAURKB
SCHEMBL6478502 0.73 KDR (0.65) PTK2KDRLCKMAPK14IGF1R
SCHEMBL6490073 0.72 KDR (0.64) PTK2KDRLCKMAPK14IGF1R
SCHEMBL5478723 0.71 MAPT (0.61) PTK2KDRLCKMAPK14IGF1R
SCHEMBL6492044 0.71 EPHB4 (0.56) PTK2KDRLCKMAPK14IGF1R
SCHEMBL14214610 0.70 PTK2 (0.54) PTK2KDRLCKMAPK14IGF1R
SCHEMBL6979834 0.70 PIK3CA (0.71) PTK2KDRLCKAURKBJAK2

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