SCHEMBL21885587

SCHEMBL21885587

COc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCNC2(CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.61
PDGFRB P09619 2/20 0.61
RET P07949 3/20 0.46
MET P08581 9/20 0.44
AXL P30530 4/20 0.44
SRC P12931 3/20 0.44
RIPK2 O43353 2/20 0.44
ABL1 P00519 2/20 0.44
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
LCK P06239 2/20 0.44
LYN P07948 2/20 0.44
HCK P08631 2/20 0.44
KIT P10721 2/20 0.44
BCR P11274 2/20 0.44
FGFR1 P11362 2/20 0.44
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
FLT3 P36888 2/20 0.44
ABL2 P42684 2/20 0.44

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
SCHEMBL30365336 1.00 KDR (0.61) KDRPDGFRBRETMETAXL
SCHEMBL21884876 0.89 KDR (0.62) KDRPDGFRBRETMETAXL
SCHEMBL21884863 0.85 KDR (0.62) KDRPDGFRBRETMETAXL
SCHEMBL30365379 0.85 KDR (0.58) KDRPDGFRBRETMETAXL
SCHEMBL21886117 0.85 KDR (0.58) KDRPDGFRBRETMETAXL
SCHEMBL30365143 0.83 KDR (0.62) KDRPDGFRBRETMETAXL
SCHEMBL21884886 0.83 KDR (0.62) KDRPDGFRBRETMETAXL
SCHEMBL30365377 0.83 KDR (0.58) KDRPDGFRBRETMETAXL
SCHEMBL21886110 0.83 KDR (0.58) KDRPDGFRBRETMETAXL
SCHEMBL21885588 0.82 KDR (0.61) KDRPDGFRBRETMETAXL

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