SCHEMBL28079290

SCHEMBL28079290

NC(=O)c1n[nH]c2ccc(CO)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 4/20 0.48
PRKAA1 Q13131 4/20 0.48
PRKAB1 Q9Y478 4/20 0.48
PRKAB2 O43741 3/20 0.48
PRKAA2 P54646 3/20 0.48
PRKAG3 Q9UGI9 3/20 0.48
PRKAG2 Q9UGJ0 3/20 0.48
CLK2 P49760 2/20 0.47
CLK3 P49761 2/20 0.47
DYRK1A Q13627 2/20 0.47
WNT1 P04628 1/20 0.47
NTRK1 P04629 2/20 0.45
MAP2K4 P45985 3/20 0.44
HAO1 Q9UJM8 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PLAU P00749 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL13554360 0.86 JAK2 (0.50) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12339927 0.81 GSK3B (0.49) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL16517211 0.81 KDM4E (0.60) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL28258471 0.80 NTRK1 (0.43) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL23368472 0.80 GSK3B (0.47) PRKAG1PRKAA1PRKAB1CLK2CLK3
SCHEMBL28079206 0.79 DYRK1A (0.69) CLK2CLK3DYRK1AWNT1GSK3B
SCHEMBL8877161 0.79 JAK2 (0.54) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL15942818 0.78 MAP2K4 (0.62) PRKAG1PRKAA1PRKAB1CLK2CLK3
SCHEMBL17039120 0.78 JAK2 (0.64) PRKAG1PRKAA1PRKAB1CLK2CLK3
SCHEMBL6195016 0.78 DYRK1A (0.44) PRKAG1PRKAA1PRKAB1CLK2CLK3

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
CN-105658640-A Alkynyl alcohols and methods of use 豪夫迈·罗氏有限公司 2016-06-08 CN disclosed