SCHEMBL21805901

SCHEMBL21805901

CCOc1[c]cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.54
PDGFRB P09619 3/20 0.54
RET P07949 3/20 0.40
EPHB6 O15197 2/20 0.40
RIPK2 O43353 2/20 0.40
STK10 O94804 2/20 0.40
MAP4K4 O95819 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
LCK P06239 2/20 0.40
CSF1R P07333 2/20 0.40
HCK P08631 2/20 0.40
KIT P10721 2/20 0.40
FGFR1 P11362 2/20 0.40
SRC P12931 2/20 0.40
PDGFRA P16234 2/20 0.40
FLT1 P17948 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40

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
SCHEMBL21805902 0.86 KDR (0.52) KDRPDGFRBRETEPHB6RIPK2
SCHEMBL21884831 0.82 KDR (0.56) KDRPDGFRBRETEPHB6RIPK2
SCHEMBL21884884 0.81 KDR (0.75) KDRPDGFRBRETEPHB6RIPK2
SCHEMBL21806043 0.81 KDR (0.59) KDRPDGFRBRETEPHB6RIPK2
SCHEMBL21884868 0.78 KDR (0.60) KDRPDGFRBRETEPHB6RIPK2
SCHEMBL22328212 0.78 KDR (0.60) KDRPDGFRBRETEPHB6RIPK2
SCHEMBL18265416 0.78 KDR (0.77) KDRPDGFRBRETEPHB6RIPK2
SCHEMBL18265407 0.77 KDR (0.56) KDRPDGFRBRETEPHB6RIPK2
SCHEMBL30365215 0.76 KDR (0.60) KDRPDGFRBRETEPHB6RIPK2
SCHEMBL21806145 0.76 KDR (0.55) KDRPDGFRBRETEPHB6RIPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996784-A Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2021-06-18 CN disclosed
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