SCHEMBL21636836

SCHEMBL21636836

Cc1cc(F)c2c(c1C1CC1)NC(=O)C(C)(C)N2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MOGAT2 Q3SYC2 2/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ PDK4 Q16654 1/20 0.33

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
SCHEMBL21624390 0.74 PDK2 (0.50) MOGAT2PDK2PDK4
SCHEMBL30006081 0.72 MOGAT2 (0.40) MOGAT2
SCHEMBL21624351 0.72 MOGAT2 (0.40) MOGAT2
SCHEMBL21624341 0.70 MOGAT2 (0.38) MOGAT2
SCHEMBL30668488 0.70 MOGAT2 (0.38) MOGAT2
SCHEMBL30668452 0.70 MOGAT2 (0.39) MOGAT2
SCHEMBL21624342 0.70 MOGAT2 (0.39) MOGAT2
SCHEMBL21624372 0.68 PDK2 (0.38) PDK2PDK4
SCHEMBL23647755 0.67 MOGAT2 (0.38) MOGAT2
SCHEMBL21624043 0.67 PDK2 (0.39) MOGAT2PDK2PDK4

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
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — WO disclosed
WO-2020016452-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 — — WO disclosed
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