SCHEMBL21884832

SCHEMBL21884832

Bc1c(Oc2ccnc3cc(OC)c(OC(=O)N4CCN5CCCC5C4)cc23)ccc2[nH]c(C)cc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.45
PDGFRB P09619 1/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SRC P12931 4/20 0.41
TGFBR1 P36897 4/20 0.41
MET P08581 8/20 0.40
SHMT2 P34897 1/20 0.39
AXL P30530 5/20 0.38

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
SCHEMBL21884830 0.91 KDR (0.56) KDRPDGFRBKMT2AMEN1SRC
SCHEMBL21884883 0.91 KDR (0.56) KDRPDGFRBKMT2AMEN1SRC
SCHEMBL21884878 0.83 KDR (0.49) KDRPDGFRBSRCTGFBR1MET
SCHEMBL30365337 0.79 KDR (0.58) KDRPDGFRBSRCTGFBR1MET
SCHEMBL30365200 0.79 KDR (0.58) KDRPDGFRBSRCTGFBR1MET
SCHEMBL21884825 0.79 KDR (0.58) KDRPDGFRBSRCTGFBR1MET
SCHEMBL21884860 0.79 KDR (0.58) KDRPDGFRBSRCTGFBR1MET
SCHEMBL21884863 0.77 KDR (0.62) KDRPDGFRBSRCTGFBR1MET
SCHEMBL21886117 0.77 KDR (0.58) KDRPDGFRBSRCTGFBR1MET
SCHEMBL30365379 0.77 KDR (0.58) KDRPDGFRBSRCTGFBR1MET

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