SCHEMBL21884884

SCHEMBL21884884

CCOc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.75
PDGFRB P09619 3/20 0.75
RET P07949 2/20 0.54
PDGFRA P16234 2/20 0.54
SRC P12931 2/20 0.54
TGFBR1 P36897 2/20 0.54
FLT3 P36888 2/20 0.54
PLK4 O00444 1/20 0.54
GAK O14976 1/20 0.54
EPHB6 O15197 1/20 0.54
RIPK2 O43353 1/20 0.54
ERN1 O75460 1/20 0.54
STK10 O94804 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54

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
SCHEMBL18265416 0.94 KDR (0.77) KDRPDGFRBRETPDGFRASRC
SCHEMBL21884843 0.91 KDR (0.74) KDRPDGFRBRETPDGFRASRC
SCHEMBL28872425 0.91 KDR (0.77) KDRPDGFRBRETPDGFRASRC
SCHEMBL10296342 0.89 KDR (0.71) KDRPDGFRBRETPDGFRASRC
SCHEMBL10296339 0.89 KDR (0.71) KDRPDGFRBRETPDGFRASRC
SCHEMBL18265408 0.89 KDR (0.68) KDRPDGFRBRETPDGFRASRC
SCHEMBL21884868 0.88 KDR (0.60) KDRPDGFRBRETPDGFRASRC
SCHEMBL10296340 0.88 KDR (0.70) KDRPDGFRBRETPDGFRASRC
SCHEMBL31484770 0.88 KDR (0.70) KDRPDGFRBRETPDGFRASRC
SCHEMBL4451546 0.88 KDR (0.73) KDRPDGFRBRETPDGFRASRC

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