SCHEMBL5048444

SCHEMBL5048444

COc1ccc(-c2ccc3[nH]nc(C(=O)N4CC5CC4CN5C)c3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 2/20 0.58
▸ PRKAA1 Q13131 2/20 0.58
▸ PRKAB1 Q9Y478 2/20 0.58
▸ GSK3B P49841 13/20 0.52
▸ DYRK1A Q13627 5/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ ROCK1 Q13464 1/20 0.42
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ RBP4 P02753 1/20 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
SCHEMBL1176665 1.00 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
SCHEMBL5046474 1.00 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
Formic Acid SCHEMBL5561851 0.96 PRKAG1 (0.54) PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
SCHEMBL1175931 0.92 GSK3B (0.52) PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
SCHEMBL5044513 0.92 GSK3B (0.52) PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL1175804 0.91 GSK3B (0.52) PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
SCHEMBL1176610 0.89 DYRK1A (0.56) PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
SCHEMBL5042792 0.89 DYRK1A (0.56) PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
Formic Acid SCHEMBL5556319 0.88 GSK3B (0.49) PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
SCHEMBL1175586 0.88 DYRK1A (0.56) GSK3BDYRK1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP disclosed
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