SCHEMBL21884875

SCHEMBL21884875

COc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCNC[C@H]1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.58
PDGFRB P09619 2/20 0.58
MET P08581 5/20 0.45
SRC P12931 4/20 0.45
TGFBR1 P36897 3/20 0.45
EGFR P00533 3/20 0.45
RET P07949 2/20 0.45
AXL P30530 2/20 0.45
PLK4 O00444 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
RIPK2 O43353 1/20 0.45
ERN1 O75460 1/20 0.45
STK10 O94804 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45
ERBB2 P04626 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45

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
SCHEMBL30365098 1.00 KDR (0.58) KDRPDGFRBMETSRCTGFBR1
SCHEMBL21885573 0.93 KDR (0.52) KDRPDGFRBMETSRCTGFBR1
SCHEMBL21884834 0.93 KDR (0.52) KDRPDGFRBMETSRCTGFBR1
SCHEMBL21885571 0.93 KDR (0.52) KDRPDGFRBMETSRCTGFBR1
SCHEMBL21886112 0.88 KDR (0.58) KDRPDGFRBMETSRCTGFBR1
SCHEMBL30364947 0.88 KDR (0.58) KDRPDGFRBMETSRCTGFBR1
SCHEMBL21886105 0.88 KDR (0.58) KDRPDGFRBMETSRCTGFBR1
SCHEMBL21886104 0.88 KDR (0.58) KDRPDGFRBMETSRCTGFBR1
SCHEMBL30365260 0.88 KDR (0.58) KDRPDGFRBMETSRCTGFBR1
SCHEMBL21884876 0.88 KDR (0.62) KDRPDGFRBMETSRCTGFBR1

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