SCHEMBL7869783

SCHEMBL7869783

CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N(C(C)C)C(C)C)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
OPRM1 P35372 1/20 0.39
MDH1 P40925 1/20 0.39
KCNH2 Q12809 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PRMT5 O14744 3/20 0.39
CHIA Q9BZP6 1/20 0.37

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
SCHEMBL7869768 0.87 PARP1 (0.46) PARP1TDP1PRKAB2PRKAG1PRKAA2
SCHEMBL7868154 0.87 PARP1 (0.46) PARP1TDP1PRKAB2PRKAG1PRKAA2
SCHEMBL7869108 0.85 PRMT5 (0.46) PARP1TDP1PRKAB2PRKAG1PRKAA2
SCHEMBL7868110 0.85 PARP1 (0.47) PARP1TDP1PRKAB2PRKAG1PRKAA2
SCHEMBL7873097 0.83 GAA (0.45) PARP1TDP1PRKAB2PRKAG1PRKAA2
SCHEMBL7861540 0.83 PRKAA2 (0.53) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7873099 0.83 PARP1 (0.45) PARP1TDP1PRKAB2PRKAG1PRKAA2
SCHEMBL7861532 0.82 NAMPT (0.44) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8491991 0.82 PARP1 (0.42) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7861547 0.82 ADRA2A (0.47) TDP1PRKAB2PRKAG1PRKAA2PRKAA1

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