SCHEMBL14214727

SCHEMBL14214727

COc1cc(Nc2ncnc(-n3c(NCC(N)=O)nc4ccccc43)n2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.71
LCK P06239 2/20 0.71
MAPK14 Q16539 2/20 0.71
PTK2 Q05397 10/20 0.48
IGF1R P08069 2/20 0.48
PIK3CA P42336 6/20 0.48
MTOR P42345 6/20 0.48
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
PIK3CD O00329 1/20 0.45
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
TGFBR2 P37173 1/20 0.45
PIK3CB P42338 1/20 0.45
CSNK1D P48730 1/20 0.45
PIK3CG P48736 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
SCHEMBL14214680 0.85 LCK (0.76) KDRLCKMAPK14PTK2IGF1R
SCHEMBL14214614 0.85 KDR (0.78) KDRLCKMAPK14PTK2IGF1R
SCHEMBL6478730 0.84 KDR (0.77) KDRLCKMAPK14PTK2IGF1R
SCHEMBL6480335 0.84 LCK (0.71) KDRLCKMAPK14PTK2IGF1R
SCHEMBL14214681 0.82 KDR (0.71) KDRLCKMAPK14PTK2IGF1R
SCHEMBL14214615 0.82 KDR (0.85) KDRLCKMAPK14PTK2IGF1R
SCHEMBL6478783 0.82 KDR (0.70) KDRLCKMAPK14PTK2IGF1R
SCHEMBL14214730 0.82 KDR (0.82) KDRLCKMAPK14PTK2IGF1R
SCHEMBL6480028 0.81 KDR (0.77) KDRLCKMAPK14PTK2IGF1R
SCHEMBL6478410 0.81 KDR (0.80) KDRLCKMAPK14PTK2IGF1R

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