SCHEMBL5043738

SCHEMBL5043738

COc1ccc2c(C(=O)N3CC4CC3CN4C)n[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.43
▸ FLT3 P36888 3/20 0.40
▸ RBP4 P02753 1/20 0.40
▸ CDK2 P24941 2/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ PRKAG1 P54619 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ PRKAB1 Q9Y478 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ CDK16 Q00536 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL1176315 1.00 GSK3B (0.43) GSK3BFLT3RBP4CDK2HSD11B1
Hydrochloric Acid SCHEMBL1176734 0.99 GSK3B (0.43) GSK3BFLT3RBP4CDK2HSD11B1
Formic Acid SCHEMBL5562459 0.96 GSK3B (0.41) GSK3BFLT3RBP4CDK2HSD11B1
SCHEMBL1176725 0.92 GSK3B (0.46) GSK3BFLT3RBP4CDK2CDK16
SCHEMBL1175931 0.92 GSK3B (0.52) GSK3BRBP4CDK2PRKAG1PRKAA1
SCHEMBL5044513 0.92 GSK3B (0.52) GSK3BRBP4CDK2PRKAG1PRKAA1
Hydrochloric Acid SCHEMBL1175804 0.91 GSK3B (0.52) GSK3BRBP4CDK2PRKAG1PRKAA1
SCHEMBL5039120 0.89 DYRK1A (0.41) GSK3BRBP4DYRK1A
SCHEMBL1176208 0.89 DYRK1A (0.41) GSK3BRBP4DYRK1A
Formic Acid SCHEMBL5556319 0.88 GSK3B (0.49) GSK3BRBP4CDK2PRKAG1PRKAA1

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
Send feedback