SCHEMBL5044513

SCHEMBL5044513

COc1ccc2[nH]nc(C(=O)N3CC4CC3CN4C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 17/20 0.52
▸ RBP4 P02753 1/20 0.48
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ CDK2 P24941 1/20 0.45
▸ CDK16 Q00536 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ ROCK1 Q13464 1/20 0.44

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
SCHEMBL1175931 1.00 GSK3B (0.52) GSK3BRBP4PRKAG1PRKAA1PRKAB1
Hydrochloric Acid SCHEMBL1175804 0.99 GSK3B (0.52) GSK3BRBP4PRKAG1PRKAA1PRKAB1
Formic Acid SCHEMBL5556319 0.96 GSK3B (0.49) GSK3BRBP4PRKAG1PRKAA1PRKAB1
SCHEMBL5046474 0.92 PRKAG1 (0.58) GSK3BRBP4PRKAG1PRKAA1PRKAB1
SCHEMBL5048444 0.92 PRKAG1 (0.58) GSK3BRBP4PRKAG1PRKAA1PRKAB1
SCHEMBL1176665 0.92 PRKAG1 (0.58) GSK3BRBP4PRKAG1PRKAA1PRKAB1
SCHEMBL5043738 0.92 GSK3B (0.43) GSK3BRBP4PRKAG1PRKAA1PRKAB1
SCHEMBL1175844 0.92 GSK3B (0.55) GSK3BRBP4PRKAG1PRKAA1PRKAB1
SCHEMBL1176315 0.92 GSK3B (0.43) GSK3BRBP4PRKAG1PRKAA1PRKAB1
Hydrochloric Acid SCHEMBL1176734 0.91 GSK3B (0.43) GSK3BRBP4PRKAG1PRKAA1PRKAB1

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
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
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