SCHEMBL30469079

SCHEMBL30469079

CONC(=O)c1c[nH]c2cc(F)c(Br)c(F)c12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 3/20 0.37
▸ MAP2K1 Q02750 4/20 0.37
▸ PRKAB2 O43741 10/20 0.37
▸ PRKAG1 P54619 10/20 0.37
▸ PRKAA2 P54646 10/20 0.37
▸ PRKAA1 Q13131 10/20 0.37
▸ PRKAG3 Q9UGI9 10/20 0.37
▸ PRKAG2 Q9UGJ0 10/20 0.37
▸ PRKAB1 Q9Y478 10/20 0.37
▸ DHODH Q02127 1/20 0.34
▸ MAP2K2 P36507 1/20 0.32

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
SCHEMBL25331903 1.00 NR4A2 (0.37) NR4A2MAP2K1PRKAB2PRKAG1PRKAA2
SCHEMBL25331800 0.87 MAP2K1 (0.40) NR4A2MAP2K1PRKAB2PRKAG1PRKAA2
SCHEMBL25331893 0.79 PRKAG1 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25999701 0.71 GABRA1 (0.55) —
SCHEMBL31748637 0.69 GPR84 (0.31) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31386176 0.69 GPR84 (0.35) —
SCHEMBL22438703 0.68 GPR84 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25332491 0.67 NR4A2 (0.44) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30469053 0.67 NR4A2 (0.44) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15805616 0.65 MAP2K1 (0.51) MAP2K1MAP2K2

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-4469436-A1 AMPK AGONISTS AND METHODS OF USE THEREOF Evvia Therapeutics, Inc. (US) 2024-12-04 — — EP disclosed
WO-2023147312-A1 AMPK AGONISTS AND METHODS OF USE THEREOF EVVIA THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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