SCHEMBL16615415

SCHEMBL16615415

C=C(c1ccc(N2CCC3(CCN(Cc4ccc(C#N)cc4)CC3)C2)nc1)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 12/20 0.61
CXCR3 P49682 1/20 0.49
PRKAB2 O43741 5/20 0.47
PRKAG1 P54619 5/20 0.47
PRKAA1 Q13131 5/20 0.47
PRKAG3 Q9UGI9 5/20 0.47
PRKAG2 Q9UGJ0 5/20 0.47
PRKAB1 Q9Y478 5/20 0.47
CYP2D6 P10635 3/20 0.45
CYP3A4 P08684 3/20 0.45
USP2 O75604 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CACNA1H O95180 1/20 0.44
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL518787 0.90 PRKAA2 (0.76) PRKAA2CXCR3PRKAB2PRKAG1PRKAA1
SCHEMBL10284160 0.89 OPRM1 (0.49) PRKAA2OPRM1OPRK1CACNA1H
SCHEMBL518014 0.76 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284157 0.75 PRKAA2 (0.69) PRKAA2CXCR3PRKAB2PRKAG1PRKAA1
SCHEMBL12266507 0.75 PRKAA2 (0.73) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL517451 0.71 PRKAA2 (1.00) PRKAA2CXCR3PRKAB2PRKAG1PRKAA1
SCHEMBL10284154 0.69 PRKAA2 (0.80) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL22268938 0.69 PRKAA2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL27739981 0.69 OPRM1 (0.68) PRKAA2CXCR3PRKAB2PRKAG1PRKAA1
SCHEMBL10284164 0.69 PRKAA2 (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015048547-A2 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed