SCHEMBL6590149

SCHEMBL6590149

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCN)c3ccc(F)cc23)c2ccc(OC(=O)C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.35
PIM1 P11309 1/20 0.35
PLK1 P53350 1/20 0.33
HSP90AA1 P07900 4/20 0.33
ICMT O60725 1/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.32
IDO1 P14902 2/20 0.32
TDO2 P48775 1/20 0.32
HTR3A P46098 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PRKCA P17252 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL6590089 0.94 PLK1 (0.34) CAMK2DPIM1PLK1HSP90AA1ICMT
Trifluoroacetic Acid SCHEMBL6588085 0.91 GSK3B (0.36) CAMK2DPIM1PLK1HSP90AA1PRKCA
Trifluoroacetic Acid SCHEMBL6590147 0.89 HSP90AA1 (0.38) CAMK2DPIM1PLK1HSP90AA1ICMT
Trifluoroacetic Acid SCHEMBL6589351 0.88 NPC1 (0.36) CAMK2DPIM1HSP90AA1PTGDR2CNR1
Trifluoroacetic Acid SCHEMBL6590827 0.87 PIM1 (0.35) CAMK2DPIM1PLK1HSP90AA1ICMT
Trifluoroacetic Acid SCHEMBL6586732 0.87 PTGDR2 (0.37) CAMK2DPIM1PLK1HSP90AA1ICMT
Trifluoroacetic Acid SCHEMBL6591483 0.86 GSK3B (0.37) CAMK2DPIM1PLK1GSK3B
Trifluoroacetic Acid SCHEMBL6585782 0.86 CAMK2D (0.45) CAMK2DPIM1HSP90AA1PTGDR2
Trifluoroacetic Acid SCHEMBL6586373 0.85 IDO1 (0.36) CAMK2DPIM1PLK1HSP90AA1PTGDR2
SCHEMBL6588981 0.85 CAMK2D (0.42) CAMK2DPIM1PLK1HSP90AA1ICMT

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