SCHEMBL29615306

SCHEMBL29615306

Nc1cc(OCCCN2CCOCC2=O)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
SIGMAR1 Q99720 4/20 0.40
KLKB1 P03952 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
AOC2 O75106 1/20 0.37
LCK P06239 1/20 0.37
SRC P12931 1/20 0.37
FLT1 P17948 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
MKNK1 Q9BUB5 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
SCHEMBL22918968 1.00 PDK2 (0.45) PDK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29615505 0.94 PDK2 (0.50) PDK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22918737 0.94 PDK2 (0.50) PDK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22918726 0.80 HRH3 (0.57) SIGMAR1HRH3SRCALDH1A1CYP1A2
SCHEMBL29615558 0.80 HRH3 (0.57) SIGMAR1HRH3SRCALDH1A1CYP1A2
SCHEMBL31662461 0.78 PDK2 (0.51) PDK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL18205494 0.77 PDK2 (0.44) PDK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15301161 0.76 TSHR (0.52) PDK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29615193 0.76 KDM4E (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2024990 0.76 KDM4E (0.58) 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
CN-118955500-A 4- (Imidazo [1,2-a ] pyridin-3-yl) -pyrimidine derivatives 默克专利股份公司 2024-11-15 CN disclosed
CN-114174293-A 4- (imidazo [1,2-a ] pyridin-3-yl) -pyrimidine derivatives 默克专利股份公司 2022-03-11 CN disclosed