SCHEMBL21884878

SCHEMBL21884878

Bc1c(Oc2ccnc3cc(OC)c(OC(=O)N4CCOCC4)cc23)ccc2[nH]c(C)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.49
PDGFRB P09619 2/20 0.49
HSD17B10 Q99714 1/20 0.47
SRC P12931 4/20 0.45
TGFBR1 P36897 3/20 0.45
EGFR P00533 2/20 0.45
MET P08581 8/20 0.43
AXL P30530 4/20 0.42
FLT3 P36888 3/20 0.41
PLK4 O00444 1/20 0.41
STK25 O00506 1/20 0.41
CIT O14578 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 1/20 0.41
MUSK O15146 1/20 0.41
EPHB6 O15197 1/20 0.41
MAPK13 O15264 1/20 0.41
MAP3K13 O43283 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP3K7 O43318 1/20 0.41

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
SCHEMBL21885580 0.92 HSD17B10 (0.45) KDRPDGFRBHSD17B10SRCEGFR
SCHEMBL21884832 0.83 KDR (0.45) KDRPDGFRBSRCTGFBR1MET
SCHEMBL21884833 0.83 KDR (0.56) KDRPDGFRBHSD17B10SRCTGFBR1
SCHEMBL21884863 0.81 KDR (0.62) KDRPDGFRBSRCTGFBR1EGFR
SCHEMBL21884876 0.81 KDR (0.62) KDRPDGFRBSRCTGFBR1EGFR
SCHEMBL21884882 0.80 KDR (0.57) KDRPDGFRBSRCTGFBR1EGFR
SCHEMBL21884881 0.80 KDR (0.57) KDRPDGFRBSRCTGFBR1EGFR
SCHEMBL3903233 0.79 SRC (0.58) KDRPDGFRBHSD17B10SRCTGFBR1
SCHEMBL30365130 0.79 KDR (0.57) KDRPDGFRBSRCTGFBR1EGFR
SCHEMBL21884877 0.79 KDR (0.57) KDRPDGFRBSRCTGFBR1EGFR

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