SCHEMBL14214527

SCHEMBL14214527

COc1cc(Nc2ncnc(N3CCc4ccc([N+](=O)[O-])cc43)n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.59
KDR P35968 5/20 0.59
LCK P06239 3/20 0.59
ALK Q9UM73 3/20 0.59
ROCK1 Q13464 2/20 0.59
PDGFRB P09619 2/20 0.59
AURKB Q96GD4 2/20 0.59
AURKA O14965 1/20 0.59
DAPK3 O43293 1/20 0.59
JAK2 O60674 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
PAK4 O96013 1/20 0.59
ABL1 P00519 1/20 0.59
NTRK1 P04629 1/20 0.59
FYN P06241 1/20 0.59
CSF1R P07333 1/20 0.59
RET P07949 1/20 0.59
MET P08581 1/20 0.59
PIM1 P11309 1/20 0.59

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
SCHEMBL14214547 0.78 PTK2 (0.79) PTK2KDRLCKALKROCK1
SCHEMBL14214731 0.77 PTK2 (0.60) PTK2KDRLCKALKROCK1
SCHEMBL8649221 0.74 ROCK1 (0.50) ROCK1PDGFRBCSF1RPDGFRA
SCHEMBL8650527 0.71 EGFR (0.67) KDRROCK1PDGFRBCSF1RRET
SCHEMBL6478502 0.69 KDR (0.65) PTK2KDRLCKALKMAPK14
SCHEMBL14214542 0.69 PTK2 (0.53) PTK2KDRLCKALKROCK1
SCHEMBL6490073 0.69 KDR (0.64) PTK2KDRLCKALKMAPK14
SCHEMBL14214686 0.68 PTK2 (0.56) PTK2KDRLCKALKROCK1
SCHEMBL6979834 0.68 PIK3CA (0.71) PTK2KDRLCKAURKBAURKA
SCHEMBL9115700 0.67 EGFR (0.61) KDRROCK1PDGFRBCSF1RRET

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