SCHEMBL29449686

SCHEMBL29449686

COc1cc2ncnc(Nc3ccc([C@H](C)CNC(C)=O)cc3)c2cc1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.57
EGFR P00533 10/20 0.57
GAK O14976 1/20 0.55
RIPK2 O43353 1/20 0.55
STK10 O94804 1/20 0.55
RET P07949 1/20 0.55
FLT3 P36888 1/20 0.55
JAK3 P52333 1/20 0.55
AAK1 Q2M2I8 1/20 0.55
Q6ZSR9 Q6ZSR9 1/20 0.55
SLK Q9H2G2 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
RPS6KA6 Q9UK32 1/20 0.55
ALK Q9UM73 1/20 0.55
LCK P06239 3/20 0.54
FLT1 P17948 1/20 0.53
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52

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
SCHEMBL28691097 1.00 KDR (0.57) KDREGFRGAKRIPK2STK10
SCHEMBL29449685 1.00 KDR (0.57) KDREGFRGAKRIPK2STK10
SCHEMBL29449684 0.89 KDR (0.55) KDREGFRGAKRIPK2STK10
SCHEMBL29449681 0.89 KDR (0.55) KDREGFRGAKRIPK2STK10
SCHEMBL28689947 0.89 KDR (0.55) KDREGFRGAKRIPK2STK10
SCHEMBL29449669 0.88 KDR (0.58) KDREGFR
SCHEMBL28699429 0.88 KDR (0.58) KDREGFR
SCHEMBL29449678 0.88 KDR (0.58) KDREGFR
SCHEMBL28694471 0.86 KDR (0.60) KDREGFRGAKRIPK2STK10
SCHEMBL29449683 0.86 KDR (0.60) KDREGFRGAKRIPK2STK10

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
CN-109942499-B Quinazoline derivative and preparation method and application thereof 湖南中医药大学 2022-03-22 CN disclosed