SCHEMBL21885580

SCHEMBL21885580

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
KDR P35968 3/20 0.45
PDGFRB P09619 2/20 0.45
KMT2A Q03164 1/20 0.38
MET P08581 5/20 0.38
FLT3 P36888 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
AXL P30530 3/20 0.38
PKM P14618 1/20 0.38
EGFR P00533 2/20 0.37
AURKA O14965 2/20 0.37
ABL1 P00519 2/20 0.37
LCK P06239 2/20 0.37
SRC P12931 2/20 0.37
FER P16591 2/20 0.37

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
SCHEMBL21884878 0.92 KDR (0.49) HSD17B10KDRPDGFRBMETFLT3
SCHEMBL21884833 0.91 KDR (0.56) HSD17B10KDRPDGFRBMETFLT3
SCHEMBL21884865 0.82 KDR (0.57) KDRPDGFRBMETFLT3AXL
SCHEMBL21886108 0.81 KDR (0.56) KDRPDGFRBMETFLT3AXL
SCHEMBL21884880 0.81 KDR (0.52) HSD17B10KDRPDGFRBMETFLT3
SCHEMBL21886116 0.81 KDR (0.52) HSD17B10KDRPDGFRBMETFLT3
SCHEMBL21885576 0.81 KDR (0.52) HSD17B10KDRPDGFRBMETFLT3
SCHEMBL30365234 0.81 KDR (0.52) HSD17B10KDRPDGFRBMETFLT3
SCHEMBL21886115 0.79 KDR (0.52) KDRPDGFRBMETFLT3AXL
SCHEMBL21884866 0.79 KDR (0.52) KDRPDGFRBMETFLT3AXL

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