SCHEMBL6588558

SCHEMBL6588558

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCC(N)=O)c3ccc(F)cc23)c2c(F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ICMT O60725 5/20 0.39
HSP90AA1 P07900 10/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PIM1 P11309 1/20 0.34
CAMK2D Q13557 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
Trifluoroacetic Acid SCHEMBL6584844 0.89 CAMK2D (0.37) ICMTHSP90AA1CNR1CNR2PIM1
SCHEMBL27581115 0.88 HSP90AA1 (0.37) HSP90AA1PIM1CAMK2D
SCHEMBL6588554 0.87 GSK3B (0.34) HSP90AA1PIM1CAMK2D
Trifluoroacetic Acid SCHEMBL6588928 0.83 HSP90AA1 (0.34) HSP90AA1
Trifluoroacetic Acid SCHEMBL6588931 0.83 HSP90AA1 (0.34) HSP90AA1
SCHEMBL6588231 0.82 CAMK2D (0.51) PIM1CAMK2D
SCHEMBL6588981 0.82 CAMK2D (0.42) ICMTHSP90AA1PIM1CAMK2D
SCHEMBL6586537 0.81 PIM1 (0.40) ICMTHSP90AA1PIM1CAMK2D
Hydrochloric Acid SCHEMBL6588778 0.81 CAMK2D (0.42) ICMTHSP90AA1PIM1CAMK2D
SCHEMBL27560071 0.81 HSP90AA1 (0.38) HSP90AA1

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