SCHEMBL6588023

SCHEMBL6588023

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCN)c3ccc(F)cc23)c2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.39
PIM1 P11309 2/20 0.37
CAMK2D Q13557 1/20 0.37
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
GSK3B P49841 6/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34

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
Hydrochloric Acid SCHEMBL6588521 0.99 PLK1 (0.39) PLK1PIM1CAMK2DPIK3R1PIK3CA
Trifluoroacetic Acid SCHEMBL6585732 0.94 PLK1 (0.35) PLK1PIM1CAMK2DPIK3R1PIK3CA
SCHEMBL6588981 0.93 CAMK2D (0.42) PLK1PIM1CAMK2DGSK3BAURKA
Hydrochloric Acid SCHEMBL6588778 0.92 CAMK2D (0.42) PLK1PIM1CAMK2DGSK3BAURKA
SCHEMBL6586537 0.90 PIM1 (0.40) PLK1PIM1CAMK2DGSK3BHTR6
SCHEMBL6589065 0.89 CAMK2D (0.40) PLK1PIM1CAMK2DGSK3BHTR6
SCHEMBL6590083 0.89 PIM1 (0.39) PLK1PIM1CAMK2DGSK3BHTR6
Trifluoroacetic Acid SCHEMBL6589143 0.89 PIM1 (0.33) PLK1PIM1CAMK2DPIK3R1PIK3CA
Hydrochloric Acid SCHEMBL6589219 0.88 CAMK2D (0.39) PLK1PIM1CAMK2DGSK3BHTR6
Hydrochloric Acid SCHEMBL6598884 0.88 CAMK2D (0.42) PLK1PIM1CAMK2DGSK3BHTR6

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
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed