SCHEMBL7868092

SCHEMBL7868092

CC(C)CNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC(C)(C)CO)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 2/20 0.38
GAA P10253 1/20 0.38
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
SCD O00767 2/20 0.37
PRMT5 O14744 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
ABL1 P00519 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7869799 0.91 PARP1 (0.42) DGAT2GAAPRKAB2PRKAG1PRKAA2
SCHEMBL7869028 0.90 ADRA2A (0.44) DGAT2GAAPRKAB2PRKAG1PRKAA2
SCHEMBL7866466 0.87 TTK (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7861548 0.87 HCAR3 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8494125 0.86 SCD (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7873078 0.85 PLA2G1B (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7867847 0.84 GAA (0.41) DGAT2GAAPRKAB2PRKAG1PRKAA2
SCHEMBL8495212 0.83 NR0B1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7872872 0.83 SCD (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7869108 0.82 PRMT5 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-6306860-B1 ANTIVIRAL ACTIVITIES AGAINST HEPATATIS B AS WELL AS HUMAN IMMUNODEFICIENCY VIRUS DONG WHA PHARM. INC. CO., LTD. (KR) 2001-10-23 US disclosed
WO-1999058526-A1 NOVEL 2,5-PYRIDINEDICARBOXYLIC ACID DERIVATIVES DONG WHA PHARM. IND. CO., LTD. (KR) 1999-11-18 WO disclosed