SCHEMBL21776499

SCHEMBL21776499

CC(C)n1cc([C]=O)c(=O)n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ AXL P30530 16/20 0.37
▸ MET P08581 8/20 0.37
▸ MERTK Q12866 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21785268 0.79 GSK3A (0.40) GSK3AGSK3BAXLMETMERTK
SCHEMBL23749481 0.77 KDM4E (0.39) GSK3AGSK3BAXLMETKDM4E
SCHEMBL23081425 0.77 GSK3A (0.38) GSK3AGSK3BAXLMETMERTK
SCHEMBL14967303 0.76 NOTUM (0.47) AXLMETMERTK
SCHEMBL22511513 0.75 AXL (0.47) AXLMETMERTK
SCHEMBL29536487 0.75 AXL (0.47) AXLMETMERTK
Hydrochloric Acid SCHEMBL30297740 0.74 AXL (0.47) AXLMETMERTK
SCHEMBL23749405 0.73 GSK3A (0.37) GSK3AGSK3BKDM4E
SCHEMBL23882540 0.72 AXL (0.48) AXLMETMERTK
SCHEMBL29736746 0.71 GSK3A (0.42) GSK3AGSK3BKDM4E

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 2 patents. 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
WO-2020042618-A1 MULTI-SUBSTITUTED PYRIDONE DERIVATIVES AND MEDICAL USE THEREOF 北京越之康泰生物医药科技有限公司 2020-03-05 — — WO disclosed
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