SCHEMBL1036306

SCHEMBL1036306

N#Cc1ccc(CN2CCC(NC(=O)c3cnc(OC4CCN(c5ccc(C#N)cc5)CC4)s3)CC2I)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 19/20 0.46
▸ PRKAB2 O43741 8/20 0.44
▸ PRKAG1 P54619 8/20 0.44
▸ PRKAA1 Q13131 8/20 0.44
▸ PRKAG3 Q9UGI9 8/20 0.44
▸ PRKAG2 Q9UGJ0 8/20 0.44
▸ PRKAB1 Q9Y478 8/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 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
SCHEMBL2507821 0.87 PRKAA2 (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12199876 0.83 PRKAA2 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1036284 0.81 PRKAA2 (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12199879 0.81 PRKAA2 (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3801004 0.81 PRKAA2 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3667019 0.81 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3799739 0.80 PRKAA2 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3665359 0.79 UTS2R (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3662808 0.79 PRKAA2 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4430744 0.79 PRKAA2 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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-2276761-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2011-01-26 — — EP disclosed
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 — — WO disclosed
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