SCHEMBL21885569

SCHEMBL21885569

COc1cc2ncnc(Oc3cc(Cl)c4[nH]c(C)cc4c3)c2cc1OC(=O)N1CCN(C)C[C@H]1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.53
KDR P35968 10/20 0.53
SRC P12931 1/20 0.53
DRD2 P14416 1/20 0.53
ERBB2 P04626 1/20 0.44
FLT1 P17948 6/20 0.40
FLT4 P35916 6/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL30365078 1.00 EGFR (0.53) EGFRKDRSRCDRD2ERBB2
SCHEMBL30365202 0.91 EGFR (0.52) EGFRKDRSRCDRD2ERBB2
SCHEMBL21884854 0.91 EGFR (0.52) EGFRKDRSRCDRD2ERBB2
SCHEMBL21884858 0.87 KDR (0.51) EGFRKDRSRCDRD2ERBB2
SCHEMBL21884874 0.82 EGFR (0.55) EGFRKDRSRCDRD2ERBB2
SCHEMBL21886113 0.79 KDR (0.59) EGFRKDRSRCDRD2ERBB2
SCHEMBL21886100 0.79 KDR (0.59) EGFRKDRSRCDRD2ERBB2
SCHEMBL21886111 0.79 KDR (0.59) EGFRKDRSRCDRD2ERBB2
SCHEMBL30364938 0.79 KDR (0.59) EGFRKDRSRCDRD2ERBB2
SCHEMBL30365096 0.79 KDR (0.59) EGFRKDRSRCDRD2ERBB2

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