SCHEMBL30788331

SCHEMBL30788331

Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 19/20 1.00
PRKAB1 Q9Y478 19/20 1.00
PRKAA2 P54646 16/20 1.00
PRKAA1 Q13131 9/20 1.00
PRKAB2 O43741 4/20 1.00
PRKAG3 Q9UGI9 4/20 1.00
PRKAG2 Q9UGJ0 4/20 1.00
TFDP2 Q14188 1/20 1.00

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
SCHEMBL29376061 1.00 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3036566 1.00 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437301 0.98 PRKAG1 (0.96) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481470 0.94 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481025 0.94 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481698 0.94 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481331 0.94 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481329 0.94 PRKAG1 (0.88) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481232 0.93 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL29659650 0.93 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2

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
CN-117243950-A Application of MK-3903 in preparation of medicines for preventing and/or treating ischemic heart disease 首都医科大学附属北京朝阳医院 2023-12-19 CN disclosed