SCHEMBL7868147

SCHEMBL7868147

CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC3CC3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 11/20 0.52
PRKAB2 O43741 7/20 0.52
PRKAG1 P54619 7/20 0.52
PRKAA1 Q13131 7/20 0.52
PRKAG3 Q9UGI9 7/20 0.52
PRKAG2 Q9UGJ0 7/20 0.52
PRKAB1 Q9Y478 7/20 0.52
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
MAOA P21397 1/20 0.46
TBXA2R P21731 1/20 0.46
OPRM1 P35372 1/20 0.46
MDH1 P40925 1/20 0.46
KCNH2 Q12809 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
TTK P33981 1/20 0.46
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7866520 0.97 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7861522 0.89 ADRA2A (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7866488 0.88 ADRA2A (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869001 0.87 POLB (0.44) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869770 0.87 ADRA2A (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7873013 0.86 PRMT5 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7866455 0.86 KCNH2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7861556 0.86 PLA2G1B (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7866501 0.85 KCNH2 (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7861540 0.85 PRKAA2 (0.53) 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
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