SCHEMBL23749362

SCHEMBL23749362

CCC(Oc1cc2nccc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)c(Cl)c3)c2c2c1OCCO2)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.47
KDR P35968 3/20 0.47
MST1R Q04912 1/20 0.46
MET P08581 8/20 0.44
RIPK3 Q9Y572 5/20 0.44
RIPK1 Q13546 3/20 0.44
AURKA O14965 2/20 0.44
RIPK2 O43353 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL23749400 0.90 MST1R (0.57) RETKDRMST1RMET
SCHEMBL23749323 0.90 MST1R (0.52) RETKDRMST1RMET
SCHEMBL23749275 0.89 KDR (0.53) RETKDRMST1RMETRIPK3
SCHEMBL23749468 0.88 MET (0.53) RETKDRMET
SCHEMBL23749277 0.87 RET (0.58) RETKDRMST1RMETRIPK3
SCHEMBL23749360 0.87 KDR (0.62) RETKDRMST1RMETRIPK3
SCHEMBL23749417 0.85 KDR (0.51) RETKDRMST1RMETRIPK3
SCHEMBL23749307 0.84 KDR (0.54) RETKDRMST1RMETRIPK3
SCHEMBL23749435 0.83 KDR (0.69) RETKDRMST1RMETRIPK3
SCHEMBL23771069 0.83 KDR (0.54) RETKDRMST1RMETRIPK3

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
EP-3865487-A1 AROMATIC RING-LINKED DIOXANE-QUINAZOLINE OR -QUINOLINE COMPOUNDS, COMPOSITIONS AND USE THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-08-18 EP disclosed