SCHEMBL28872425

SCHEMBL28872425

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCN

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.77
PDGFRB P09619 3/20 0.77
RET P07949 3/20 0.54
PDGFRA P16234 2/20 0.54
PLK4 O00444 1/20 0.54
GAK O14976 1/20 0.54
EPHB6 O15197 1/20 0.54
RIPK2 O43353 1/20 0.54
ERN1 O75460 1/20 0.54
STK10 O94804 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
CSF1R P07333 1/20 0.54
YES1 P07947 1/20 0.54
LYN P07948 1/20 0.54

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
SCHEMBL18265416 0.93 KDR (0.77) KDRPDGFRBRETPDGFRAPLK4
SCHEMBL21884884 0.91 KDR (0.75) KDRPDGFRBRETPDGFRAPLK4
SCHEMBL21884843 0.90 KDR (0.74) KDRPDGFRBRETPDGFRAPLK4
SCHEMBL10296342 0.88 KDR (0.71) KDRPDGFRBRETPDGFRAPLK4
SCHEMBL10296339 0.88 KDR (0.71) KDRPDGFRBRETPDGFRAPLK4
SCHEMBL10296340 0.87 KDR (0.70) KDRPDGFRBRETPDGFRAPLK4
SCHEMBL31484770 0.87 KDR (0.70) KDRPDGFRBRETPDGFRAPLK4
SCHEMBL4556610 0.87 KDR (0.73) KDRPDGFRBRETPDGFRAPLK4
SCHEMBL4451546 0.87 KDR (0.73) KDRPDGFRBRETPDGFRAPLK4
Catequentinib SCHEMBL2063386 0.87 KDR (1.00) KDRPDGFRBRETPDGFRAPLK4

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
CN-112912373-B Angiogenesis inhibitor, preparation method and application thereof 北京康辰药业股份有限公司 2022-08-23 CN claimed