SCHEMBL6588231

SCHEMBL6588231

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCN)c3ccc(F)cc23)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 8/20 0.51
PIM1 P11309 1/20 0.51
PDK1 Q15118 1/20 0.41
PLK1 P53350 1/20 0.40
RPS6KB1 P23443 1/20 0.39
GSK3B P49841 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
SCHEMBL6588981 0.95 CAMK2D (0.42) CAMK2DPIM1PDK1PLK1GSK3B
Hydrochloric Acid SCHEMBL6588778 0.94 CAMK2D (0.42) CAMK2DPIM1PDK1PLK1GSK3B
Trifluoroacetic Acid SCHEMBL6585782 0.94 CAMK2D (0.45) CAMK2DPIM1PDK1
Hydrochloric Acid SCHEMBL6588204 0.92 CAMK2D (0.44) CAMK2DPIM1RPS6KB1GSK3B
SCHEMBL6586537 0.92 PIM1 (0.40) CAMK2DPIM1PDK1PLK1GSK3B
Hydrochloric Acid SCHEMBL6590807 0.91 CAMK2D (0.43) CAMK2DPIM1RPS6KB1GSK3B
Hydrochloric Acid SCHEMBL6590175 0.91 CAMK2D (0.43) CAMK2DPIM1RPS6KB1GSK3B
SCHEMBL6589065 0.91 CAMK2D (0.40) CAMK2DPIM1PDK1PLK1GSK3B
SCHEMBL6590083 0.91 PIM1 (0.39) CAMK2DPIM1PDK1PLK1GSK3B
Hydrochloric Acid SCHEMBL6589219 0.90 CAMK2D (0.39) CAMK2DPIM1PDK1PLK1GSK3B

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