SCHEMBL5566103

SCHEMBL5566103

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCN1CCN(CC(F)(F)F)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.69
▸ RET P07949 4/20 0.69
▸ PDGFRB P09619 2/20 0.69
▸ PLK4 O00444 1/20 0.69
▸ GAK O14976 1/20 0.69
▸ EPHB6 O15197 1/20 0.69
▸ RIPK2 O43353 1/20 0.69
▸ ERN1 O75460 1/20 0.69
▸ STK10 O94804 1/20 0.69
▸ MAP4K4 O95819 1/20 0.69
▸ CHEK2 O96017 1/20 0.69
▸ ABL1 P00519 1/20 0.69
▸ EGFR P00533 1/20 0.69
▸ ERBB2 P04626 1/20 0.69
▸ LCK P06239 1/20 0.69
▸ FYN P06241 1/20 0.69
▸ CSF1R P07333 1/20 0.69
▸ YES1 P07947 1/20 0.69
▸ LYN P07948 1/20 0.69
▸ MET P08581 1/20 0.69

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
SCHEMBL12809406 0.92 KDR (0.77) KDRRETPDGFRBPLK4GAK
SCHEMBL1401636 0.91 KDR (0.84) KDRRETPDGFRBPLK4GAK
SCHEMBL1401649 0.89 KDR (0.65) KDRRETPDGFRBPLK4GAK
SCHEMBL15952729 0.84 KDR (0.73) KDRRETPDGFRBPLK4GAK
SCHEMBL1401791 0.83 KDR (0.81) KDRRETPDGFRBPLK4GAK
SCHEMBL3198096 0.83 KDR (0.89) KDRRETPDGFRBPLK4GAK
SCHEMBL13471998 0.83 KDR (0.89) KDRRETPDGFRBPLK4GAK
SCHEMBL1401668 0.83 KDR (0.89) KDRRETPDGFRBPLK4GAK
SCHEMBL5570287 0.82 KDR (0.69) KDRRETPDGFRBPLK4GAK
Cediranib SCHEMBL63147 0.82 KDR (1.00) KDRRETPDGFRBPLK4GAK

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
US-7268230-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-09-11 — — US disclosed
Send feedback