SCHEMBL7873097

SCHEMBL7873097

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
PARP1 P09874 1/20 0.44
PRKAA2 P54646 6/20 0.40
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
CHIA Q9BZP6 1/20 0.40
HSD11B1 P28845 1/20 0.39
PRMT5 O14744 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A7 Q99884 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.36
ABL1 P00519 1/20 0.36

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 0.92 PARP1 (0.42) GAAPARP1PRKAA2PRKAB2PRKAG1
SCHEMBL7868154 0.88 PARP1 (0.46) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7869768 0.87 PARP1 (0.46) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7866455 0.87 KCNH2 (0.47) GAAPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7868110 0.87 PARP1 (0.47) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7873099 0.86 PARP1 (0.45) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7869108 0.85 PRMT5 (0.46) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7873041 0.84 PARP1 (0.42) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7861540 0.84 PRKAA2 (0.53) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL8491991 0.84 PARP1 (0.42) PARP1PRKAA2PRKAB2PRKAG1PRKAA1

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