SCHEMBL1401733

SCHEMBL1401733

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OC[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.60
RET P07949 2/20 0.60
PDGFRB P09619 2/20 0.60
EPHB4 P54760 2/20 0.60
PLK4 O00444 1/20 0.60
GAK O14976 1/20 0.60
EPHB6 O15197 1/20 0.60
RIPK2 O43353 1/20 0.60
ERN1 O75460 1/20 0.60
STK10 O94804 1/20 0.60
MAP4K4 O95819 1/20 0.60
CHEK2 O96017 1/20 0.60
ABL1 P00519 1/20 0.60
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
CSF1R P07333 1/20 0.60
YES1 P07947 1/20 0.60
LYN P07948 1/20 0.60

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
SCHEMBL1401707 1.00 KDR (0.60) KDRRETPDGFRBEPHB4PLK4
SCHEMBL3917975 0.91 KDR (0.64) KDRRETPDGFRBEPHB4PLK4
SCHEMBL1401632 0.91 KDR (0.64) KDRRETPDGFRBEPHB4PLK4
SCHEMBL3920841 0.91 KDR (0.64) KDRRETPDGFRBEPHB4PLK4
SCHEMBL1401680 0.91 KDR (0.64) KDRRETPDGFRBEPHB4PLK4
SCHEMBL1401633 0.91 KDR (0.64) KDRRETPDGFRBEPHB4PLK4
SCHEMBL1401719 0.90 KDR (0.63) KDRRETPDGFRBEPHB4PLK4
SCHEMBL1401643 0.89 KDR (0.61) KDRRETPDGFRBEPHB4PLK4
SCHEMBL1401686 0.89 KDR (0.61) KDRRETPDGFRBEPHB4PLK4
SCHEMBL1401690 0.87 KDR (0.59) KDRRETPDGFRBEPHB4PLK4

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-2292615-A1 Quinazoline compounds AstraZeneca AB (SE) 2011-03-09 EP disclosed