SCHEMBL21885577

SCHEMBL21885577

CCOc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCN(C)C(C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.52
PDGFRB P09619 2/20 0.52
EGFR P00533 3/20 0.45
MET P08581 4/20 0.42
AXL P30530 3/20 0.42
RET P07949 2/20 0.42
FLT3 P36888 2/20 0.42
ABL1 P00519 2/20 0.42
LCK P06239 2/20 0.42
SRC P12931 2/20 0.42
FER P16591 2/20 0.42
TYRO3 Q06418 2/20 0.42
MERTK Q12866 2/20 0.42
MAP2K5 Q13163 2/20 0.42
AURKB Q96GD4 2/20 0.42
PLK4 O00444 1/20 0.42
GAK O14976 1/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
ERN1 O75460 1/20 0.42

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
SCHEMBL21885575 1.00 KDR (0.52) KDRPDGFRBEGFRMETAXL
SCHEMBL21884825 0.93 KDR (0.58) KDRPDGFRBEGFRMETAXL
SCHEMBL21884860 0.93 KDR (0.58) KDRPDGFRBEGFRMETAXL
SCHEMBL30365200 0.93 KDR (0.58) KDRPDGFRBEGFRMETAXL
SCHEMBL30365337 0.93 KDR (0.58) KDRPDGFRBEGFRMETAXL
SCHEMBL21884864 0.89 KDR (0.53) KDRPDGFRBEGFRMETAXL
SCHEMBL30365236 0.88 KDR (0.55) KDRPDGFRBEGFRMETAXL
SCHEMBL21885581 0.88 KDR (0.55) KDRPDGFRBEGFRMETAXL
SCHEMBL21884880 0.88 KDR (0.52) KDRPDGFRBEGFRMETAXL
SCHEMBL21885576 0.88 KDR (0.52) KDRPDGFRBEGFRMETAXL

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