SCHEMBL21885567

SCHEMBL21885567

COc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.64
EGFR P00533 3/20 0.64
RET P07949 2/20 0.64
PDGFRB P09619 2/20 0.64
PLK4 O00444 1/20 0.64
GAK O14976 1/20 0.64
EPHB6 O15197 1/20 0.64
RIPK2 O43353 1/20 0.64
ERN1 O75460 1/20 0.64
STK10 O94804 1/20 0.64
MAP4K4 O95819 1/20 0.64
CHEK2 O96017 1/20 0.64
ABL1 P00519 1/20 0.64
ERBB2 P04626 1/20 0.64
LCK P06239 1/20 0.64
FYN P06241 1/20 0.64
CSF1R P07333 1/20 0.64
YES1 P07947 1/20 0.64
LYN P07948 1/20 0.64
MET P08581 1/20 0.64

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
SCHEMBL21884863 0.89 KDR (0.62) KDREGFRRETPDGFRBPLK4
SCHEMBL21886111 0.88 KDR (0.59) KDREGFRRETPDGFRBPLK4
SCHEMBL30364938 0.88 KDR (0.59) KDREGFRRETPDGFRBPLK4
SCHEMBL30365096 0.88 KDR (0.59) KDREGFRRETPDGFRBPLK4
SCHEMBL21886100 0.88 KDR (0.59) KDREGFRRETPDGFRBPLK4
SCHEMBL21886113 0.88 KDR (0.59) KDREGFRRETPDGFRBPLK4
SCHEMBL15952729 0.84 KDR (0.73) KDREGFRRETPDGFRBPLK4
SCHEMBL12369330 0.83 EGFR (0.57) KDREGFRRETPDGFRBPLK4
SCHEMBL21886114 0.83 KDR (0.57) KDREGFRRETPDGFRBPLK4
SCHEMBL30365146 0.83 KDR (0.57) KDREGFRRETPDGFRBPLK4

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
WO-2020057403-A1 INDOLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 北京越之康泰生物医药科技有限公司 2020-03-26 WO disclosed