SCHEMBL7869009

SCHEMBL7869009

Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCO)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 7/20 0.44
PRKAB2 O43741 3/20 0.44
PRKAG1 P54619 3/20 0.44
PRKAA1 Q13131 3/20 0.44
PRKAG3 Q9UGI9 3/20 0.44
PRKAG2 Q9UGJ0 3/20 0.44
PRKAB1 Q9Y478 3/20 0.44
PRMT5 O14744 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SCD O00767 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8491403 0.88 KMT2A (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7873110 0.86 PRMT5 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869073 0.86 HPGDS (0.51) SMN1; SMN2
SCHEMBL8495364 0.85 ALOX15 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7873099 0.85 PARP1 (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869770 0.85 ADRA2A (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL7866438 0.85 ALOX15 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869762 0.84 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7867847 0.83 GAA (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7872821 0.83 SMN1; SMN2 (0.43) 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 1 patent. 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