SCHEMBL6590083

SCHEMBL6590083

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCCCN)c3ccc(F)cc23)c2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
CAMK2D Q13557 1/20 0.39
PLK1 P53350 3/20 0.39
ICMT O60725 2/20 0.39
GSK3B P49841 6/20 0.36
HTR6 P50406 1/20 0.36
HSP90AA1 P07900 2/20 0.35
PDK1 Q15118 1/20 0.35
CDK2 P24941 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
SCHEMBL6586537 0.99 PIM1 (0.40) PIM1CAMK2DPLK1ICMTGSK3B
SCHEMBL6588981 0.96 CAMK2D (0.42) PIM1CAMK2DPLK1ICMTGSK3B
Hydrochloric Acid SCHEMBL6588778 0.95 CAMK2D (0.42) PIM1CAMK2DPLK1ICMTGSK3B
Trifluoroacetic Acid SCHEMBL6586877 0.93 ICMT (0.38) PIM1CAMK2DPLK1ICMTGSK3B
SCHEMBL6589065 0.93 CAMK2D (0.40) PIM1CAMK2DPLK1ICMTGSK3B
Trifluoroacetic Acid SCHEMBL6591980 0.93 ICMT (0.37) PIM1CAMK2DPLK1ICMTGSK3B
Hydrochloric Acid SCHEMBL6589219 0.92 CAMK2D (0.39) PIM1CAMK2DPLK1ICMTGSK3B
Hydrochloric Acid SCHEMBL6598884 0.92 CAMK2D (0.42) PIM1CAMK2DPLK1ICMTGSK3B
SCHEMBL6588432 0.91 GSK3B (0.42) PIM1CAMK2DPLK1ICMTGSK3B
SCHEMBL6588231 0.91 CAMK2D (0.51) PIM1CAMK2DPLK1GSK3BPDK1

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 4 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
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed