SCHEMBL23749332

SCHEMBL23749332

CCC(C#N)Oc1cc2nccc(Oc3ccc(N)cc3F)c2c2c1OCCO2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.47
MET P08581 2/20 0.45
RET P07949 8/20 0.44
AXL P30530 1/20 0.42
EGFR P00533 3/20 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
SCHEMBL23749326 0.85 MET (0.50) KDRMETRETAXLEGFR
SCHEMBL23749353 0.85 MET (0.46) KDRMETRETAXLEGFR
SCHEMBL22769707 0.84 MET (0.51) KDRMETRETAXLEGFR
SCHEMBL23749525 0.83 KDR (0.63) KDRMETRETAXLEGFR
SCHEMBL23749333 0.83 KDR (0.53) KDRMETRETAXLEGFR
SCHEMBL21750981 0.82 KDR (0.61) KDRMETRETAXLEGFR
SCHEMBL23749460 0.82 MET (0.63) KDRMETRETAXLEGFR
SCHEMBL23749404 0.81 RET (0.51) KDRMETRETAXLEGFR
SCHEMBL23749430 0.80 RET (0.61) KDRMETRETAXLEGFR
SCHEMBL21751027 0.80 KDR (0.61) KDRMETRETAXLEGFR

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